data_nef_c25816_2n7p save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2N7P stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 PRO start . false 2 A 2 LEU middle . . 3 A 3 THR middle . . 4 A 4 ARG middle . . 5 A 5 PRO middle . false 6 A 6 TYR middle . . 7 A 7 LEU middle . . 8 A 8 GLY middle . false 9 A 9 PHE middle . . 10 A 10 ARG middle . . 11 A 11 VAL middle . . 12 A 12 ALA middle . . 13 A 13 VAL middle . . 14 A 14 GLY middle . false 15 A 15 ARG middle . . 16 A 16 ASP middle . . 17 A 17 SER middle . . 18 A 18 SER middle . . 19 A 19 GLY middle . false 20 A 20 CYS middle . . 21 A 21 THR middle . . 22 A 22 THR middle . . 23 A 23 LEU middle . . 24 A 24 SER middle . . 25 A 25 ILE middle . . 26 A 26 GLN middle . . 27 A 27 GLU middle . . 28 A 28 VAL middle . . 29 A 29 THR middle . . 30 A 30 GLN middle . . 31 A 31 THR middle . . 32 A 32 TYR middle . . 33 A 33 THR middle . . 34 A 34 GLY middle . false 35 A 35 SER middle . . 36 A 36 ASN middle . . 37 A 37 GLY middle . false 38 A 38 GLY middle . false 39 A 39 ALA middle . . 40 A 40 ASP middle . . 41 A 41 LEU middle . . 42 A 42 MET middle . . 43 A 43 GLY middle . false 44 A 44 PRO middle . false 45 A 45 ALA middle . . 46 A 46 PHE middle . . 47 A 47 ALA middle . . 48 A 48 ALA middle . . 49 A 49 GLY middle . false 50 A 50 LEU middle . . 51 A 51 ARG middle . . 52 A 52 VAL middle . . 53 A 53 GLY middle . false 54 A 54 ASP middle . . 55 A 55 GLN middle . . 56 A 56 LEU middle . . 57 A 57 VAL middle . . 58 A 58 ARG middle . . 59 A 59 PHE middle . . 60 A 60 ALA middle . . 61 A 61 GLY middle . false 62 A 62 TYR middle . . 63 A 63 THR middle . . 64 A 64 VAL middle . . 65 A 65 THR middle . . 66 A 66 GLU middle . . 67 A 67 LEU middle . . 68 A 68 ALA middle . . 69 A 69 ALA middle . . 70 A 70 PHE middle . . 71 A 71 ASN middle . . 72 A 72 THR middle . . 73 A 73 VAL middle . . 74 A 74 VAL middle . . 75 A 75 ALA middle . . 76 A 76 ARG middle . . 77 A 77 HIS middle . . 78 A 78 VAL middle . . 79 A 79 ARG middle . . 80 A 80 PRO middle . false 81 A 81 SER middle . . 82 A 82 ALA middle . . 83 A 83 SER middle . . 84 A 84 ILE middle . . 85 A 85 PRO middle . false 86 A 86 VAL middle . . 87 A 87 VAL middle . . 88 A 88 PHE middle . . 89 A 89 SER middle . . 90 A 90 ARG middle . . 91 A 91 ASP middle . . 92 A 92 GLY middle . false 93 A 93 VAL middle . . 94 A 94 VAL middle . . 95 A 95 MET middle . . 96 A 96 SER middle . . 97 A 97 ALA middle . . 98 A 98 THR middle . . 99 A 99 ILE middle . . 100 A 100 VAL middle . . 101 A 101 VAL middle . . 102 A 102 GLY middle . false 103 A 103 GLU middle . . 104 A 104 LEU middle . . 105 A 105 GLU end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 PRO HA H 1 4.382 0.02 A 1 PRO HBx H 1 1.870 0.02 A 1 PRO HBy H 1 2.202 0.02 A 1 PRO HDx H 1 3.648 0.02 A 1 PRO HDy H 1 3.648 0.02 A 1 PRO HGx H 1 1.917 0.02 A 1 PRO HGy H 1 1.917 0.02 A 1 PRO CA C 13 62.063 0.2 A 1 PRO CB C 13 31.007 0.2 A 1 PRO CD C 13 49.547 0.2 A 1 PRO CG C 13 26.243 0.2 A 2 LEU H H 1 8.535 0.02 A 2 LEU HA H 1 4.392 0.02 A 2 LEU HBx H 1 1.593 0.02 A 2 LEU HBy H 1 1.593 0.02 A 2 LEU HDx% H 1 0.819 0.02 A 2 LEU HDy% H 1 0.819 0.02 A 2 LEU CA C 13 54.332 0.2 A 2 LEU CB C 13 41.317 0.2 A 2 LEU CDy C 13 23.437 0.2 A 2 LEU CDx C 13 22.435 0.2 A 2 LEU CG C 13 25.798 0.2 A 2 LEU N N 15 122.611 0.2 A 3 THR H H 1 7.903 0.02 A 3 THR HA H 1 4.777 0.02 A 3 THR HB H 1 4.100 0.02 A 3 THR HG2% H 1 1.064 0.02 A 3 THR CA C 13 59.259 0.2 A 3 THR CB C 13 70.185 0.2 A 3 THR CG2 C 13 20.996 0.2 A 3 THR N N 15 112.475 0.2 A 4 ARG H H 1 8.809 0.02 A 4 ARG N N 15 120.183 0.2 A 5 PRO HA H 1 4.372 0.02 A 5 PRO HBx H 1 2.000 0.02 A 5 PRO HBy H 1 2.000 0.02 A 5 PRO CA C 13 65.017 0.2 A 5 PRO CB C 13 31.588 0.2 A 5 PRO CD C 13 49.730 0.2 A 5 PRO CG C 13 26.192 0.2 A 6 TYR H H 1 7.530 0.02 A 6 TYR HA H 1 4.634 0.02 A 6 TYR HBy H 1 2.558 0.02 A 6 TYR HBx H 1 2.114 0.02 A 6 TYR CA C 13 56.076 0.2 A 6 TYR CB C 13 41.054 0.2 A 6 TYR N N 15 120.727 0.2 A 7 LEU H H 1 8.500 0.02 A 7 LEU CB C 13 42.407 0.2 A 7 LEU N N 15 126.575 0.2 A 8 GLY HAy H 1 3.685 0.02 A 8 GLY HAx H 1 3.336 0.02 A 8 GLY CA C 13 45.707 0.2 A 9 PHE H H 1 7.102 0.02 A 9 PHE HA H 1 5.358 0.02 A 9 PHE HBy H 1 3.256 0.02 A 9 PHE HBx H 1 2.878 0.02 A 9 PHE CA C 13 55.262 0.2 A 9 PHE CB C 13 39.454 0.2 A 9 PHE N N 15 114.612 0.2 A 10 ARG H H 1 8.206 0.02 A 10 ARG HA H 1 4.671 0.02 A 10 ARG HBy H 1 1.833 0.02 A 10 ARG HBx H 1 1.517 0.02 A 10 ARG HDx H 1 3.117 0.02 A 10 ARG HDy H 1 3.117 0.02 A 10 ARG CA C 13 53.399 0.2 A 10 ARG CB C 13 33.815 0.2 A 10 ARG CD C 13 42.261 0.2 A 10 ARG CG C 13 26.318 0.2 A 10 ARG N N 15 117.800 0.2 A 11 VAL H H 1 8.601 0.02 A 11 VAL HA H 1 5.167 0.02 A 11 VAL HB H 1 1.620 0.02 A 11 VAL HGx% H 1 0.323 0.02 A 11 VAL HGy% H 1 0.323 0.02 A 11 VAL CA C 13 58.190 0.2 A 11 VAL CB C 13 33.875 0.2 A 11 VAL CGy C 13 21.061 0.2 A 11 VAL CGx C 13 17.887 0.2 A 11 VAL N N 15 117.216 0.2 A 12 ALA H H 1 8.861 0.02 A 12 ALA HA H 1 4.580 0.02 A 12 ALA HB% H 1 1.250 0.02 A 12 ALA CA C 13 49.543 0.2 A 12 ALA CB C 13 21.782 0.2 A 12 ALA N N 15 123.025 0.2 A 13 VAL H H 1 8.585 0.02 A 13 VAL HA H 1 4.551 0.02 A 13 VAL HB H 1 1.955 0.02 A 13 VAL HGx% H 1 1.012 0.02 A 13 VAL HGy% H 1 1.012 0.02 A 13 VAL CA C 13 61.283 0.2 A 13 VAL CB C 13 31.694 0.2 A 13 VAL CGx C 13 20.938 0.2 A 13 VAL N N 15 121.395 0.2 A 14 GLY H H 1 8.789 0.02 A 14 GLY HAy H 1 4.450 0.02 A 14 GLY HAx H 1 3.616 0.02 A 14 GLY CA C 13 43.384 0.2 A 14 GLY N N 15 117.546 0.2 A 15 ARG H H 1 8.299 0.02 A 15 ARG HA H 1 5.110 0.02 A 15 ARG HBx H 1 1.577 0.02 A 15 ARG HBy H 1 1.577 0.02 A 15 ARG HDx H 1 3.058 0.02 A 15 ARG HDy H 1 3.058 0.02 A 15 ARG HE H 1 8.413 0.02 A 15 ARG CA C 13 53.893 0.2 A 15 ARG CB C 13 32.756 0.2 A 15 ARG CD C 13 42.219 0.2 A 15 ARG CG C 13 26.080 0.2 A 15 ARG N N 15 120.075 0.2 A 16 ASP H H 1 8.619 0.02 A 16 ASP HA H 1 4.745 0.02 A 16 ASP HBy H 1 3.289 0.02 A 16 ASP HBx H 1 2.570 0.02 A 16 ASP CA C 13 51.371 0.2 A 16 ASP CB C 13 40.752 0.2 A 16 ASP N N 15 123.872 0.2 A 17 SER H H 1 8.624 0.02 A 17 SER HA H 1 4.196 0.02 A 17 SER HBx H 1 3.967 0.02 A 17 SER HBy H 1 3.967 0.02 A 17 SER CA C 13 59.950 0.2 A 17 SER CB C 13 61.825 0.2 A 17 SER N N 15 114.309 0.2 A 18 SER H H 1 8.385 0.02 A 18 SER HA H 1 4.597 0.02 A 18 SER HBx H 1 3.996 0.02 A 18 SER HBy H 1 3.996 0.02 A 18 SER CA C 13 57.732 0.2 A 18 SER CB C 13 63.470 0.2 A 18 SER N N 15 117.903 0.2 A 19 GLY H H 1 8.214 0.02 A 19 GLY HAy H 1 4.330 0.02 A 19 GLY HAx H 1 3.561 0.02 A 19 GLY CA C 13 44.171 0.2 A 19 GLY N N 15 109.883 0.2 A 20 CYS H H 1 8.286 0.02 A 20 CYS HA H 1 4.488 0.02 A 20 CYS HBx H 1 2.975 0.02 A 20 CYS HBy H 1 2.975 0.02 A 20 CYS CA C 13 58.037 0.2 A 20 CYS CB C 13 26.685 0.2 A 20 CYS N N 15 122.167 0.2 A 21 THR H H 1 8.626 0.02 A 21 THR HA H 1 4.764 0.02 A 21 THR HB H 1 4.178 0.02 A 21 THR HG2% H 1 1.258 0.02 A 21 THR CA C 13 61.953 0.2 A 21 THR CB C 13 68.795 0.2 A 21 THR CG2 C 13 21.448 0.2 A 21 THR N N 15 119.387 0.2 A 22 THR H H 1 8.343 0.02 A 22 THR HA H 1 4.513 0.02 A 22 THR HB H 1 3.896 0.02 A 22 THR HG2% H 1 0.987 0.02 A 22 THR CA C 13 58.918 0.2 A 22 THR CB C 13 71.128 0.2 A 22 THR CG2 C 13 20.590 0.2 A 22 THR N N 15 116.611 0.2 A 23 LEU H H 1 9.157 0.02 A 23 LEU HA H 1 4.932 0.02 A 23 LEU HBy H 1 1.593 0.02 A 23 LEU HBx H 1 0.841 0.02 A 23 LEU HDx% H 1 0.428 0.02 A 23 LEU HDy% H 1 0.428 0.02 A 23 LEU HG H 1 1.253 0.02 A 23 LEU CA C 13 52.487 0.2 A 23 LEU CB C 13 42.265 0.2 A 23 LEU CDy C 13 24.297 0.2 A 23 LEU CDx C 13 23.010 0.2 A 23 LEU N N 15 122.893 0.2 A 24 SER H H 1 8.656 0.02 A 24 SER HA H 1 5.173 0.02 A 24 SER HBx H 1 3.516 0.02 A 24 SER HBy H 1 3.516 0.02 A 24 SER CA C 13 55.247 0.2 A 24 SER CB C 13 64.841 0.2 A 24 SER N N 15 116.771 0.2 A 25 ILE H H 1 9.023 0.02 A 25 ILE HA H 1 4.031 0.02 A 25 ILE HB H 1 2.034 0.02 A 25 ILE CA C 13 61.270 0.2 A 25 ILE CB C 13 34.649 0.2 A 25 ILE CG2 C 13 18.299 0.2 A 25 ILE N N 15 122.747 0.2 A 26 GLN H H 1 9.093 0.02 A 26 GLN HA H 1 4.429 0.02 A 26 GLN HBy H 1 1.830 0.02 A 26 GLN HBx H 1 1.752 0.02 A 26 GLN HE2x H 1 6.820 0.02 A 26 GLN HGx H 1 2.195 0.02 A 26 GLN HGy H 1 2.195 0.02 A 26 GLN CA C 13 54.587 0.2 A 26 GLN CB C 13 30.276 0.2 A 26 GLN CG C 13 32.532 0.2 A 26 GLN N N 15 129.779 0.2 A 26 GLN NE2 N 15 112.281 0.2 A 27 GLU H H 1 7.479 0.02 A 27 GLU CA C 13 54.964 0.2 A 27 GLU CB C 13 33.022 0.2 A 27 GLU N N 15 118.722 0.2 A 28 VAL HA H 1 4.443 0.02 A 28 VAL HB H 1 1.923 0.02 A 28 VAL HGx% H 1 0.920 0.02 A 28 VAL HGy% H 1 0.621 0.02 A 28 VAL CA C 13 61.155 0.2 A 28 VAL CB C 13 33.680 0.2 A 28 VAL CGx C 13 20.927 0.2 A 28 VAL CGy C 13 20.927 0.2 A 29 THR H H 1 8.009 0.02 A 29 THR HA H 1 4.183 0.02 A 29 THR HB H 1 3.928 0.02 A 29 THR HG2% H 1 1.359 0.02 A 29 THR CA C 13 62.474 0.2 A 29 THR CB C 13 68.811 0.2 A 29 THR CG2 C 13 21.873 0.2 A 29 THR N N 15 124.459 0.2 A 30 GLN H H 1 9.321 0.02 A 30 GLN HA H 1 3.522 0.02 A 30 GLN HBx H 1 1.703 0.02 A 30 GLN HBy H 1 1.703 0.02 A 30 GLN HE2x H 1 6.735 0.02 A 30 GLN HGy H 1 1.381 0.02 A 30 GLN CA C 13 58.886 0.2 A 30 GLN CB C 13 27.305 0.2 A 30 GLN CG C 13 32.360 0.2 A 30 GLN N N 15 130.053 0.2 A 30 GLN NE2 N 15 111.068 0.2 A 31 THR H H 1 7.630 0.02 A 31 THR HA H 1 5.509 0.02 A 31 THR HB H 1 3.858 0.02 A 31 THR HG2% H 1 1.032 0.02 A 31 THR CA C 13 58.798 0.2 A 31 THR CB C 13 71.374 0.2 A 31 THR CG2 C 13 20.935 0.2 A 31 THR N N 15 111.234 0.2 A 32 TYR H H 1 9.359 0.02 A 32 TYR HA H 1 4.803 0.02 A 32 TYR HBy H 1 2.902 0.02 A 32 TYR HBx H 1 2.665 0.02 A 32 TYR CA C 13 54.799 0.2 A 32 TYR CB C 13 39.718 0.2 A 32 TYR N N 15 121.998 0.2 A 33 THR H H 1 7.985 0.02 A 33 THR HA H 1 4.390 0.02 A 33 THR HB H 1 3.893 0.02 A 33 THR HG2% H 1 1.126 0.02 A 33 THR CA C 13 59.896 0.2 A 33 THR CB C 13 69.135 0.2 A 33 THR CG2 C 13 20.731 0.2 A 33 THR N N 15 114.039 0.2 A 34 GLY H H 1 8.698 0.02 A 34 GLY HAy H 1 4.332 0.02 A 34 GLY HAx H 1 3.710 0.02 A 34 GLY CA C 13 44.072 0.2 A 34 GLY N N 15 113.445 0.2 A 35 SER H H 1 8.039 0.02 A 35 SER HA H 1 4.264 0.02 A 35 SER HBx H 1 3.730 0.02 A 35 SER HBy H 1 3.730 0.02 A 35 SER CA C 13 57.651 0.2 A 35 SER CB C 13 63.056 0.2 A 35 SER N N 15 113.837 0.2 A 36 ASN H H 1 8.767 0.02 A 36 ASN HA H 1 4.584 0.02 A 36 ASN HBx H 1 2.764 0.02 A 36 ASN HBy H 1 2.764 0.02 A 36 ASN HD2x H 1 6.915 0.02 A 36 ASN HD2y H 1 7.620 0.02 A 36 ASN CA C 13 52.781 0.2 A 36 ASN CB C 13 37.186 0.2 A 36 ASN N N 15 119.749 0.2 A 37 GLY H H 1 8.496 0.02 A 37 GLY HAy H 1 4.054 0.02 A 37 GLY HAx H 1 3.686 0.02 A 37 GLY CA C 13 44.585 0.2 A 37 GLY N N 15 110.628 0.2 A 38 GLY H H 1 7.955 0.02 A 38 GLY HAy H 1 3.911 0.02 A 38 GLY HAx H 1 3.795 0.02 A 38 GLY CA C 13 44.100 0.2 A 38 GLY N N 15 108.654 0.2 A 39 ALA H H 1 8.028 0.02 A 39 ALA HA H 1 4.211 0.02 A 39 ALA HB% H 1 1.283 0.02 A 39 ALA CA C 13 50.838 0.2 A 39 ALA CB C 13 18.729 0.2 A 39 ALA N N 15 123.326 0.2 A 40 ASP H H 1 8.261 0.02 A 40 ASP HA H 1 4.387 0.02 A 40 ASP HBx H 1 2.401 0.02 A 40 ASP HBy H 1 2.401 0.02 A 40 ASP CA C 13 53.994 0.2 A 40 ASP CB C 13 39.627 0.2 A 40 ASP N N 15 119.573 0.2 A 41 LEU H H 1 8.663 0.02 A 41 LEU HA H 1 4.442 0.02 A 41 LEU HBy H 1 1.153 0.02 A 41 LEU HBx H 1 0.908 0.02 A 41 LEU HDx% H 1 0.730 0.02 A 41 LEU HDy% H 1 0.730 0.02 A 41 LEU CA C 13 52.221 0.2 A 41 LEU CB C 13 43.009 0.2 A 41 LEU CDx C 13 24.596 0.2 A 41 LEU CDy C 13 24.596 0.2 A 41 LEU N N 15 123.899 0.2 A 42 MET H H 1 8.553 0.02 A 42 MET HA H 1 4.730 0.02 A 42 MET HBy H 1 2.233 0.02 A 42 MET HBx H 1 2.026 0.02 A 42 MET HGx H 1 2.898 0.02 A 42 MET HGy H 1 2.898 0.02 A 42 MET CA C 13 54.695 0.2 A 42 MET CB C 13 32.194 0.2 A 42 MET CG C 13 31.046 0.2 A 42 MET N N 15 119.684 0.2 A 43 GLY H H 1 8.618 0.02 A 43 GLY CA C 13 43.378 0.2 A 43 GLY N N 15 113.052 0.2 A 44 PRO HA H 1 4.720 0.02 A 44 PRO HBx H 1 1.630 0.02 A 44 PRO HBy H 1 1.630 0.02 A 44 PRO HDx H 1 3.766 0.02 A 44 PRO HDy H 1 3.766 0.02 A 44 PRO CA C 13 61.231 0.2 A 44 PRO CB C 13 31.953 0.2 A 44 PRO CD C 13 49.350 0.2 A 45 ALA H H 1 7.524 0.02 A 45 ALA HA H 1 3.984 0.02 A 45 ALA HB% H 1 1.400 0.02 A 45 ALA CA C 13 53.804 0.2 A 45 ALA CB C 13 17.967 0.2 A 45 ALA N N 15 120.693 0.2 A 46 PHE H H 1 8.603 0.02 A 46 PHE HA H 1 3.962 0.02 A 46 PHE HBx H 1 3.119 0.02 A 46 PHE HBy H 1 3.119 0.02 A 46 PHE CA C 13 60.326 0.2 A 46 PHE CB C 13 38.620 0.2 A 46 PHE N N 15 122.306 0.2 A 47 ALA H H 1 9.199 0.02 A 47 ALA HA H 1 4.088 0.02 A 47 ALA HB% H 1 1.527 0.02 A 47 ALA CA C 13 53.951 0.2 A 47 ALA CB C 13 17.647 0.2 A 47 ALA N N 15 123.253 0.2 A 48 ALA H H 1 7.262 0.02 A 48 ALA HA H 1 4.303 0.02 A 48 ALA HB% H 1 1.370 0.02 A 48 ALA CA C 13 51.687 0.2 A 48 ALA CB C 13 18.772 0.2 A 48 ALA N N 15 117.571 0.2 A 49 GLY H H 1 7.461 0.02 A 49 GLY HAy H 1 4.176 0.02 A 49 GLY HAx H 1 3.436 0.02 A 49 GLY CA C 13 43.619 0.2 A 49 GLY N N 15 103.229 0.2 A 50 LEU H H 1 7.224 0.02 A 50 LEU HA H 1 3.518 0.02 A 50 LEU HBy H 1 1.023 0.02 A 50 LEU HBx H 1 0.755 0.02 A 50 LEU HDx% H 1 0.151 0.02 A 50 LEU HDy% H 1 0.151 0.02 A 50 LEU CA C 13 54.412 0.2 A 50 LEU CB C 13 40.955 0.2 A 50 LEU CDy C 13 23.807 0.2 A 50 LEU CDx C 13 21.862 0.2 A 50 LEU N N 15 120.470 0.2 A 51 ARG H H 1 8.678 0.02 A 51 ARG HBy H 1 1.690 0.02 A 51 ARG HBx H 1 1.492 0.02 A 51 ARG HDx H 1 3.197 0.02 A 51 ARG HDy H 1 3.197 0.02 A 51 ARG CA C 13 52.491 0.2 A 51 ARG CB C 13 33.816 0.2 A 51 ARG CD C 13 42.662 0.2 A 51 ARG CG C 13 25.737 0.2 A 51 ARG N N 15 119.645 0.2 A 52 VAL H H 1 8.482 0.02 A 52 VAL HA H 1 3.223 0.02 A 52 VAL HB H 1 1.830 0.02 A 52 VAL HGx% H 1 0.897 0.02 A 52 VAL HGy% H 1 0.897 0.02 A 52 VAL CA C 13 64.218 0.2 A 52 VAL CB C 13 30.149 0.2 A 52 VAL CGy C 13 22.327 0.2 A 52 VAL CGx C 13 20.047 0.2 A 52 VAL N N 15 119.995 0.2 A 53 GLY H H 1 9.122 0.02 A 53 GLY HAy H 1 4.495 0.02 A 53 GLY HAx H 1 3.573 0.02 A 53 GLY CA C 13 43.425 0.2 A 53 GLY N N 15 117.052 0.2 A 54 ASP H H 1 7.848 0.02 A 54 ASP HA H 1 4.833 0.02 A 54 ASP HBy H 1 2.469 0.02 A 54 ASP HBx H 1 2.181 0.02 A 54 ASP CA C 13 54.734 0.2 A 54 ASP CB C 13 40.279 0.2 A 54 ASP N N 15 124.203 0.2 A 55 GLN H H 1 9.158 0.02 A 55 GLN HA H 1 4.867 0.02 A 55 GLN HBx H 1 2.086 0.02 A 55 GLN HBy H 1 2.086 0.02 A 55 GLN HE2x H 1 6.932 0.02 A 55 GLN HE2y H 1 7.438 0.02 A 55 GLN HGy H 1 2.382 0.02 A 55 GLN HGx H 1 2.162 0.02 A 55 GLN CA C 13 53.526 0.2 A 55 GLN CB C 13 29.032 0.2 A 55 GLN CG C 13 32.528 0.2 A 55 GLN N N 15 121.703 0.2 A 55 GLN NE2 N 15 111.575 0.2 A 56 LEU H H 1 8.770 0.02 A 56 LEU HA H 1 4.187 0.02 A 56 LEU HBy H 1 1.511 0.02 A 56 LEU HBx H 1 1.346 0.02 A 56 LEU HDx% H 1 0.624 0.02 A 56 LEU HDy% H 1 0.624 0.02 A 56 LEU CA C 13 55.195 0.2 A 56 LEU CB C 13 42.013 0.2 A 56 LEU CDx C 13 24.005 0.2 A 56 LEU CG C 13 26.136 0.2 A 56 LEU N N 15 124.733 0.2 A 57 VAL H H 1 8.889 0.02 A 57 VAL HA H 1 4.308 0.02 A 57 VAL HB H 1 1.654 0.02 A 57 VAL HGx% H 1 0.877 0.02 A 57 VAL HGy% H 1 0.877 0.02 A 57 VAL CA C 13 63.143 0.2 A 57 VAL CB C 13 32.635 0.2 A 57 VAL CGx C 13 19.708 0.2 A 57 VAL CGy C 13 19.708 0.2 A 57 VAL N N 15 123.383 0.2 A 58 ARG H H 1 8.531 0.02 A 58 ARG HA H 1 5.338 0.02 A 58 ARG HBx H 1 1.495 0.02 A 58 ARG HBy H 1 1.495 0.02 A 58 ARG HDx H 1 2.939 0.02 A 58 ARG HDy H 1 2.939 0.02 A 58 ARG CA C 13 54.212 0.2 A 58 ARG CB C 13 34.613 0.2 A 58 ARG CD C 13 42.360 0.2 A 58 ARG CG C 13 26.920 0.2 A 58 ARG N N 15 118.094 0.2 A 59 PHE H H 1 9.295 0.02 A 59 PHE HA H 1 4.935 0.02 A 59 PHE HBy H 1 3.232 0.02 A 59 PHE HBx H 1 2.920 0.02 A 59 PHE CA C 13 56.856 0.2 A 59 PHE CB C 13 42.971 0.2 A 59 PHE N N 15 123.332 0.2 A 60 ALA H H 1 8.356 0.02 A 60 ALA HA H 1 3.587 0.02 A 60 ALA HB% H 1 1.190 0.02 A 60 ALA CA C 13 52.374 0.2 A 60 ALA CB C 13 15.473 0.2 A 60 ALA N N 15 127.537 0.2 A 61 GLY H H 1 9.178 0.02 A 61 GLY HAy H 1 4.001 0.02 A 61 GLY HAx H 1 3.256 0.02 A 61 GLY CA C 13 43.787 0.2 A 61 GLY N N 15 103.058 0.2 A 62 TYR H H 1 7.888 0.02 A 62 TYR HA H 1 4.630 0.02 A 62 TYR HBx H 1 3.023 0.02 A 62 TYR HBy H 1 3.023 0.02 A 62 TYR CA C 13 56.577 0.2 A 62 TYR CB C 13 38.892 0.2 A 62 TYR N N 15 120.218 0.2 A 63 THR H H 1 9.108 0.02 A 63 THR HA H 1 4.479 0.02 A 63 THR HB H 1 4.176 0.02 A 63 THR HG2% H 1 1.300 0.02 A 63 THR CA C 13 62.851 0.2 A 63 THR CB C 13 67.848 0.2 A 63 THR CG2 C 13 21.168 0.2 A 63 THR N N 15 120.933 0.2 A 64 VAL H H 1 7.782 0.02 A 64 VAL HA H 1 4.599 0.02 A 64 VAL HB H 1 2.029 0.02 A 64 VAL HGx% H 1 1.016 0.02 A 64 VAL HGy% H 1 1.016 0.02 A 64 VAL CA C 13 58.867 0.2 A 64 VAL CB C 13 33.004 0.2 A 64 VAL CGy C 13 22.194 0.2 A 64 VAL CGx C 13 18.889 0.2 A 64 VAL N N 15 121.039 0.2 A 65 THR H H 1 9.053 0.02 A 65 THR HA H 1 4.452 0.02 A 65 THR HB H 1 4.312 0.02 A 65 THR HG2% H 1 1.164 0.02 A 65 THR CA C 13 60.536 0.2 A 65 THR CB C 13 69.037 0.2 A 65 THR CG2 C 13 21.146 0.2 A 65 THR N N 15 114.373 0.2 A 66 GLU H H 1 7.345 0.02 A 66 GLU HA H 1 4.563 0.02 A 66 GLU HBy H 1 2.259 0.02 A 66 GLU HBx H 1 1.996 0.02 A 66 GLU HGx H 1 2.291 0.02 A 66 GLU HGy H 1 2.291 0.02 A 66 GLU CA C 13 53.387 0.2 A 66 GLU CB C 13 31.565 0.2 A 66 GLU CG C 13 34.539 0.2 A 66 GLU N N 15 115.766 0.2 A 67 LEU H H 1 8.906 0.02 A 67 LEU HA H 1 3.934 0.02 A 67 LEU HBy H 1 1.724 0.02 A 67 LEU HBx H 1 1.430 0.02 A 67 LEU HDx% H 1 0.844 0.02 A 67 LEU HDy% H 1 0.844 0.02 A 67 LEU CA C 13 57.535 0.2 A 67 LEU CB C 13 41.053 0.2 A 67 LEU CDx C 13 23.337 0.2 A 67 LEU CDy C 13 23.337 0.2 A 67 LEU N N 15 124.674 0.2 A 68 ALA H H 1 9.022 0.02 A 68 ALA HA H 1 4.136 0.02 A 68 ALA HB% H 1 1.433 0.02 A 68 ALA CA C 13 54.674 0.2 A 68 ALA CB C 13 16.521 0.2 A 68 ALA N N 15 120.493 0.2 A 69 ALA H H 1 7.258 0.02 A 69 ALA HA H 1 4.162 0.02 A 69 ALA HB% H 1 1.616 0.02 A 69 ALA CA C 13 54.020 0.2 A 69 ALA CB C 13 17.663 0.2 A 69 ALA N N 15 119.695 0.2 A 70 PHE H H 1 7.769 0.02 A 70 PHE HA H 1 3.959 0.02 A 70 PHE HBy H 1 3.148 0.02 A 70 PHE HBx H 1 2.869 0.02 A 70 PHE CA C 13 60.960 0.2 A 70 PHE CB C 13 38.432 0.2 A 70 PHE N N 15 119.274 0.2 A 71 ASN H H 1 8.801 0.02 A 71 ASN HA H 1 4.102 0.02 A 71 ASN HBy H 1 2.886 0.02 A 71 ASN HBx H 1 2.690 0.02 A 71 ASN HD2x H 1 6.647 0.02 A 71 ASN CA C 13 54.697 0.2 A 71 ASN CB C 13 36.073 0.2 A 71 ASN N N 15 117.363 0.2 A 71 ASN ND2 N 15 110.152 0.2 A 72 THR H H 1 8.109 0.02 A 72 THR HA H 1 4.220 0.02 A 72 THR HB H 1 3.908 0.02 A 72 THR HG2% H 1 1.115 0.02 A 72 THR CA C 13 65.927 0.2 A 72 THR CB C 13 67.600 0.2 A 72 THR CG2 C 13 20.438 0.2 A 72 THR N N 15 119.746 0.2 A 73 VAL H H 1 7.744 0.02 A 73 VAL HA H 1 3.455 0.02 A 73 VAL HB H 1 2.120 0.02 A 73 VAL HGx% H 1 0.979 0.02 A 73 VAL HGy% H 1 0.685 0.02 A 73 VAL CA C 13 66.156 0.2 A 73 VAL CB C 13 30.336 0.2 A 73 VAL CGx C 13 21.406 0.2 A 73 VAL CGy C 13 21.406 0.2 A 73 VAL N N 15 123.156 0.2 A 74 VAL H H 1 8.154 0.02 A 74 VAL HA H 1 3.366 0.02 A 74 VAL HB H 1 1.743 0.02 A 74 VAL HGx% H 1 0.653 0.02 A 74 VAL HGy% H 1 0.653 0.02 A 74 VAL CA C 13 65.598 0.2 A 74 VAL CB C 13 30.485 0.2 A 74 VAL CGy C 13 21.958 0.2 A 74 VAL CGx C 13 19.720 0.2 A 74 VAL N N 15 120.420 0.2 A 75 ALA H H 1 7.788 0.02 A 75 ALA HA H 1 3.995 0.02 A 75 ALA HB% H 1 1.427 0.02 A 75 ALA CA C 13 53.999 0.2 A 75 ALA CB C 13 16.964 0.2 A 75 ALA N N 15 120.206 0.2 A 76 ARG H H 1 7.705 0.02 A 76 ARG HA H 1 4.085 0.02 A 76 ARG HBy H 1 1.470 0.02 A 76 ARG HBx H 1 1.254 0.02 A 76 ARG HDx H 1 2.952 0.02 A 76 ARG HDy H 1 2.952 0.02 A 76 ARG HGx H 1 1.136 0.02 A 76 ARG HGy H 1 1.136 0.02 A 76 ARG CA C 13 56.982 0.2 A 76 ARG CB C 13 30.684 0.2 A 76 ARG CD C 13 42.333 0.2 A 76 ARG CG C 13 25.862 0.2 A 76 ARG N N 15 114.701 0.2 A 77 HIS H H 1 8.123 0.02 A 77 HIS HA H 1 4.810 0.02 A 77 HIS HBy H 1 3.225 0.02 A 77 HIS HBx H 1 2.820 0.02 A 77 HIS CA C 13 56.161 0.2 A 77 HIS CB C 13 31.033 0.2 A 77 HIS N N 15 112.695 0.2 A 78 VAL H H 1 8.034 0.02 A 78 VAL HA H 1 3.893 0.02 A 78 VAL HB H 1 2.700 0.02 A 78 VAL HGx% H 1 1.104 0.02 A 78 VAL HGy% H 1 0.893 0.02 A 78 VAL CA C 13 63.565 0.2 A 78 VAL CB C 13 29.128 0.2 A 78 VAL CGy C 13 22.864 0.2 A 78 VAL CGx C 13 20.669 0.2 A 78 VAL N N 15 119.219 0.2 A 79 ARG H H 1 7.023 0.02 A 79 ARG CA C 13 51.361 0.2 A 79 ARG CB C 13 30.191 0.2 A 79 ARG N N 15 126.908 0.2 A 80 PRO HA H 1 4.025 0.02 A 80 PRO HBx H 1 1.894 0.02 A 80 PRO HBy H 1 2.172 0.02 A 80 PRO HGx H 1 1.595 0.02 A 80 PRO HGy H 1 1.595 0.02 A 80 PRO CA C 13 63.570 0.2 A 80 PRO CB C 13 31.212 0.2 A 80 PRO CD C 13 49.577 0.2 A 80 PRO CG C 13 27.001 0.2 A 81 SER H H 1 8.210 0.02 A 81 SER HA H 1 4.047 0.02 A 81 SER HBx H 1 3.990 0.02 A 81 SER HBy H 1 3.990 0.02 A 81 SER CA C 13 60.713 0.2 A 81 SER N N 15 115.039 0.2 A 82 ALA H H 1 7.770 0.02 A 82 ALA HA H 1 4.346 0.02 A 82 ALA HB% H 1 1.463 0.02 A 82 ALA CA C 13 51.506 0.2 A 82 ALA CB C 13 19.095 0.2 A 82 ALA N N 15 123.546 0.2 A 83 SER H H 1 8.524 0.02 A 83 SER HA H 1 5.129 0.02 A 83 SER HBy H 1 3.707 0.02 A 83 SER HBx H 1 3.541 0.02 A 83 SER CA C 13 56.582 0.2 A 83 SER CB C 13 62.554 0.2 A 83 SER N N 15 116.753 0.2 A 84 ILE H H 1 9.599 0.02 A 84 ILE CA C 13 54.786 0.2 A 84 ILE CB C 13 38.424 0.2 A 84 ILE N N 15 126.985 0.2 A 85 PRO HA H 1 4.945 0.02 A 85 PRO HBx H 1 1.834 0.02 A 85 PRO HBy H 1 2.231 0.02 A 85 PRO HGx H 1 1.908 0.02 A 85 PRO HGy H 1 1.908 0.02 A 85 PRO CA C 13 61.554 0.2 A 85 PRO CB C 13 31.427 0.2 A 85 PRO CD C 13 50.560 0.2 A 85 PRO CG C 13 26.059 0.2 A 86 VAL H H 1 9.033 0.02 A 86 VAL HA H 1 4.849 0.02 A 86 VAL HB H 1 2.033 0.02 A 86 VAL HGx% H 1 1.031 0.02 A 86 VAL HGy% H 1 1.031 0.02 A 86 VAL CA C 13 59.773 0.2 A 86 VAL CB C 13 34.644 0.2 A 86 VAL N N 15 123.811 0.2 A 87 VAL H H 1 9.132 0.02 A 87 VAL HA H 1 4.972 0.02 A 87 VAL HB H 1 1.756 0.02 A 87 VAL HGx% H 1 0.856 0.02 A 87 VAL HGy% H 1 0.856 0.02 A 87 VAL CA C 13 60.693 0.2 A 87 VAL CB C 13 32.418 0.2 A 87 VAL CGx C 13 19.749 0.2 A 87 VAL CGy C 13 19.749 0.2 A 87 VAL N N 15 127.839 0.2 A 88 PHE H H 1 9.248 0.02 A 88 PHE HA H 1 5.618 0.02 A 88 PHE HBy H 1 2.870 0.02 A 88 PHE HBx H 1 2.629 0.02 A 88 PHE CA C 13 54.211 0.2 A 88 PHE CB C 13 41.002 0.2 A 88 PHE N N 15 127.301 0.2 A 89 SER H H 1 9.689 0.02 A 89 SER HA H 1 5.336 0.02 A 89 SER HBy H 1 3.531 0.02 A 89 SER HBx H 1 3.314 0.02 A 89 SER CA C 13 54.452 0.2 A 89 SER CB C 13 64.474 0.2 A 89 SER N N 15 113.734 0.2 A 90 ARG H H 1 8.561 0.02 A 90 ARG HA H 1 4.747 0.02 A 90 ARG HBy H 1 1.952 0.02 A 90 ARG HBx H 1 1.700 0.02 A 90 ARG HGx H 1 1.609 0.02 A 90 ARG HGy H 1 1.609 0.02 A 90 ARG CA C 13 54.122 0.2 A 90 ARG CB C 13 32.336 0.2 A 90 ARG CD C 13 42.490 0.2 A 90 ARG CG C 13 24.204 0.2 A 90 ARG N N 15 128.114 0.2 A 91 ASP H H 1 9.461 0.02 A 91 ASP HA H 1 4.269 0.02 A 91 ASP HBy H 1 2.939 0.02 A 91 ASP HBx H 1 2.575 0.02 A 91 ASP CA C 13 54.501 0.2 A 91 ASP CB C 13 39.081 0.2 A 91 ASP N N 15 129.790 0.2 A 92 GLY H H 1 8.391 0.02 A 92 GLY HAy H 1 4.148 0.02 A 92 GLY HAx H 1 3.417 0.02 A 92 GLY CA C 13 44.305 0.2 A 92 GLY N N 15 102.404 0.2 A 93 VAL H H 1 7.682 0.02 A 93 VAL HA H 1 4.002 0.02 A 93 VAL HB H 1 2.079 0.02 A 93 VAL HGx% H 1 0.853 0.02 A 93 VAL HGy% H 1 0.853 0.02 A 93 VAL CA C 13 61.266 0.2 A 93 VAL CB C 13 31.818 0.2 A 93 VAL CGx C 13 20.000 0.2 A 93 VAL CGy C 13 20.000 0.2 A 93 VAL N N 15 123.090 0.2 A 94 VAL H H 1 8.400 0.02 A 94 VAL HA H 1 4.134 0.02 A 94 VAL HB H 1 1.757 0.02 A 94 VAL HGx% H 1 0.793 0.02 A 94 VAL HGy% H 1 0.698 0.02 A 94 VAL CA C 13 62.340 0.2 A 94 VAL CB C 13 30.116 0.2 A 94 VAL CGx C 13 20.731 0.2 A 94 VAL CGy C 13 20.731 0.2 A 94 VAL N N 15 128.414 0.2 A 95 MET H H 1 9.100 0.02 A 95 MET HA H 1 4.352 0.02 A 95 MET HBx H 1 1.570 0.02 A 95 MET HGy H 1 2.183 0.02 A 95 MET HGx H 1 2.030 0.02 A 95 MET CA C 13 53.674 0.2 A 95 MET CB C 13 36.104 0.2 A 95 MET CG C 13 30.965 0.2 A 95 MET N N 15 129.196 0.2 A 96 SER H H 1 8.004 0.02 A 96 SER HA H 1 5.469 0.02 A 96 SER HBx H 1 3.765 0.02 A 96 SER HBy H 1 3.765 0.02 A 96 SER CA C 13 55.830 0.2 A 96 SER CB C 13 65.471 0.2 A 96 SER N N 15 111.540 0.2 A 97 ALA H H 1 9.145 0.02 A 97 ALA HA H 1 4.788 0.02 A 97 ALA HB% H 1 1.443 0.02 A 97 ALA CA C 13 50.399 0.2 A 97 ALA CB C 13 22.544 0.2 A 97 ALA N N 15 124.079 0.2 A 98 THR H H 1 8.754 0.02 A 98 THR HA H 1 4.823 0.02 A 98 THR HB H 1 3.811 0.02 A 98 THR HG2% H 1 0.874 0.02 A 98 THR CA C 13 61.053 0.2 A 98 THR CB C 13 69.913 0.2 A 98 THR CG2 C 13 20.828 0.2 A 98 THR N N 15 117.342 0.2 A 99 ILE H H 1 8.868 0.02 A 99 ILE HA H 1 4.111 0.02 A 99 ILE HB H 1 1.547 0.02 A 99 ILE HG2% H 1 0.777 0.02 A 99 ILE CA C 13 59.369 0.2 A 99 ILE CB C 13 39.691 0.2 A 99 ILE CD1 C 13 13.819 0.2 A 99 ILE CG1 C 13 26.794 0.2 A 99 ILE CG2 C 13 16.164 0.2 A 99 ILE N N 15 125.689 0.2 A 100 VAL H H 1 8.818 0.02 A 100 VAL HA H 1 4.666 0.02 A 100 VAL HB H 1 1.953 0.02 A 100 VAL HGx% H 1 0.792 0.02 A 100 VAL HGy% H 1 0.792 0.02 A 100 VAL CA C 13 60.867 0.2 A 100 VAL CB C 13 29.610 0.2 A 100 VAL CGx C 13 19.562 0.2 A 100 VAL CGy C 13 19.562 0.2 A 100 VAL N N 15 129.871 0.2 A 101 VAL H H 1 8.795 0.02 A 101 VAL HA H 1 3.369 0.02 A 101 VAL HB H 1 2.417 0.02 A 101 VAL HGx% H 1 1.079 0.02 A 101 VAL HGy% H 1 1.079 0.02 A 101 VAL CA C 13 64.327 0.2 A 101 VAL CB C 13 30.974 0.2 A 101 VAL CGx C 13 22.374 0.2 A 101 VAL CGy C 13 22.374 0.2 A 101 VAL N N 15 128.299 0.2 A 102 GLY H H 1 8.393 0.02 A 102 GLY HAy H 1 4.722 0.02 A 102 GLY HAx H 1 3.910 0.02 A 102 GLY CA C 13 43.680 0.2 A 102 GLY N N 15 115.466 0.2 A 103 GLU H H 1 8.386 0.02 A 103 GLU HA H 1 4.955 0.02 A 103 GLU HBx H 1 1.831 0.02 A 103 GLU HBy H 1 1.831 0.02 A 103 GLU HGx H 1 2.110 0.02 A 103 GLU HGy H 1 2.110 0.02 A 103 GLU CA C 13 54.746 0.2 A 103 GLU CB C 13 32.201 0.2 A 103 GLU CG C 13 35.405 0.2 A 103 GLU N N 15 119.459 0.2 A 104 LEU H H 1 8.735 0.02 A 104 LEU HA H 1 4.700 0.02 A 104 LEU HDx% H 1 0.667 0.02 A 104 LEU HDy% H 1 0.667 0.02 A 104 LEU CA C 13 52.567 0.2 A 104 LEU CB C 13 44.058 0.2 A 104 LEU N N 15 123.881 0.2 A 105 GLU H H 1 8.568 0.02 A 105 GLU CA C 13 55.367 0.2 A 105 GLU CB C 13 29.846 0.2 A 105 GLU N N 15 122.559 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 LEU H A 1 PRO HA 1.0 1.8 3.6 2 2 A 2 LEU H A 1 PRO HBx 1.0 1.8 4.6 3 3 A 2 LEU H A 3 THR HG2% 1.0 1.8 6.0 4 4 A 2 LEU H A 3 THR H 1.0 1.8 6.0 5 5 A 3 THR H A 2 LEU HA 1.0 1.8 3.6 6 6 A 3 THR HG2% A 3 THR H 1.0 1.8 6.0 7 7 A 3 THR H A 3 THR HB 1.0 1.8 6.0 8 8 A 3 THR H A 3 THR HA 1.0 1.8 6.0 9 9 A 2 LEU H A 3 THR H 1.0 1.8 6.0 10 10 A 3 THR H A 4 ARG H 1.0 1.8 6.0 11 11 A 3 THR H A 76 ARG H 1.0 1.8 6.5 12 12 A 3 THR HA A 4 ARG H 1.0 1.8 3.6 13 13 A 3 THR HB A 4 ARG H 1.0 1.8 4.6 14 14 A 3 THR HG2% A 4 ARG H 1.0 1.8 6.0 15 15 A 3 THR H A 4 ARG H 1.0 1.8 6.0 16 16 A 6 TYR H A 5 PRO HA 1.0 1.8 3.6 17 17 A 6 TYR H A 6 TYR HBy 1.0 1.8 5.6 18 18 A 6 TYR HBy A 7 LEU H 1.0 1.8 5.6 19 19 A 7 LEU H A 6 TYR HA 1.0 1.8 3.6 20 20 A 7 LEU H A 6 TYR HBx 1.0 1.8 5.6 21 21 A 6 TYR H A 7 LEU H 1.0 1.8 6.2 22 22 A 7 LEU H A 9 PHE H 1.0 1.8 6.2 23 23 A 8 GLY HAy A 29 THR HB 1.0 1.8 6.2 24 24 A 9 PHE H A 8 GLY HAy 1.0 1.8 4.6 25 25 A 9 PHE H A 8 GLY HAx 1.0 1.8 4.6 26 26 A 9 PHE H A 9 PHE HBx 1.0 1.8 5.6 27 27 A 7 LEU H A 9 PHE H 1.0 1.8 5.6 28 28 A 9 PHE H A 10 ARG H 1.0 1.8 6.0 29 29 A 9 PHE H A 9 PHE HA 1.0 1.8 5.6 30 30 A 9 PHE H A 67 LEU HBx 1.0 1.8 6.0 31 31 A 9 PHE HBx A 28 VAL HGy% 1.0 1.8 6.0 32 32 A 9 PHE HBx A 9 PHE HA 1.0 1.8 6.0 33 33 A 9 PHE HA A 28 VAL HGy% 1.0 1.8 6.0 34 34 A 9 PHE HBx A 10 ARG H 1.0 1.8 4.6 35 35 A 10 ARG H A 9 PHE HBy 1.0 1.8 4.6 36 36 A 10 ARG H A 9 PHE HA 1.0 1.8 4.6 37 37 A 9 PHE H A 10 ARG H 1.0 1.8 5.6 38 38 A 10 ARG H A 10 ARG HA 1.0 1.8 5.6 39 39 A 10 ARG H A 10 ARG HBy 1.0 1.8 4.6 40 40 A 10 ARG H A 10 ARG HBx 1.0 1.8 4.6 41 41 A 10 ARG H A 26 GLN H 1.0 1.8 5.1 42 42 A 10 ARG H A 27 GLU H 1.0 1.8 5.2 43 43 A 10 ARG H A 26 GLN HA 1.0 1.8 6.2 44 44 A 10 ARG HA A 26 GLN HBy 1.0 1.8 5.2 45 45 A 10 ARG HA A 10 ARG HBx 1.0 1.8 6.2 46 46 A 10 ARG HBy A 10 ARG HBx 1.0 1.8 6.2 47 47 A 10 ARG HBy A 26 GLN HBy 1.0 1.8 5.2 48 48 A 10 ARG HA A 11 VAL H 1.0 1.8 5.6 49 49 A 10 ARG HBy A 11 VAL H 1.0 1.8 5.6 50 50 A 10 ARG HBx A 11 VAL H 1.0 1.8 5.6 51 51 A 10 ARG H A 11 VAL H 1.0 1.8 5.6 52 52 A 11 VAL H A 11 VAL HA 1.0 1.8 5.6 53 53 A 11 VAL HA A 11 VAL HB 1.0 1.8 6.0 54 54 A 11 VAL H A 26 GLN HE2y 1.0 1.8 5.0 55 55 A 11 VAL HA A 12 ALA H 1.0 1.8 3.6 56 56 A 11 VAL HB A 12 ALA H 1.0 1.8 4.6 57 57 A 12 ALA H A 12 ALA HA 1.0 1.8 5.6 58 58 A 12 ALA H A 23 LEU HG 1.0 1.8 4.6 59 59 A 12 ALA HB% A 23 LEU HG 1.0 1.8 6.0 60 60 A 12 ALA H A 23 LEU HA 1.0 1.8 5.1 61 61 A 12 ALA H A 25 ILE HA 1.0 1.8 5.2 62 62 A 12 ALA HA A 12 ALA HB% 1.0 1.8 5.4 63 63 A 12 ALA HB% A 23 LEU HBx 1.0 1.8 5.4 64 64 A 12 ALA HA A 13 VAL H 1.0 1.8 3.6 65 65 A 12 ALA HB% A 13 VAL H 1.0 1.8 4.6 66 66 A 13 VAL H A 13 VAL HB 1.0 1.8 4.6 67 67 A 13 VAL H A 14 GLY H 1.0 1.8 5.6 68 68 A 13 VAL HB A 13 VAL HA 1.0 1.8 5.4 69 69 A 23 LEU HBx A 13 VAL HB 1.0 1.8 5.2 70 70 A 23 LEU HA A 13 VAL HA 1.0 1.8 5.2 71 71 A 13 VAL HA A 24 SER H 1.0 1.8 5.2 72 72 A 23 LEU HBx A 13 VAL HA 1.0 1.8 5.2 73 73 A 23 LEU HG A 13 VAL HA 1.0 1.8 5.2 74 74 A 13 VAL HB A 13 VAL HA 1.0 1.8 5.2 75 75 A 14 GLY H A 13 VAL HA 1.0 1.8 3.6 76 76 A 13 VAL HB A 14 GLY H 1.0 1.8 4.6 77 77 A 14 GLY H A 15 ARG HA 1.0 1.8 6.0 78 78 A 14 GLY H A 14 GLY HAx 1.0 1.8 6.0 79 79 A 14 GLY H A 22 THR H 1.0 1.8 4.0 80 80 A 14 GLY H A 23 LEU HBy 1.0 1.8 6.0 81 81 A 23 LEU HG A 14 GLY H 1.0 1.8 5.6 82 82 A 14 GLY HAx A 15 ARG H 1.0 1.8 4.6 83 83 A 15 ARG H A 14 GLY HAy 1.0 1.8 4.6 84 84 A 15 ARG HA A 15 ARG H 1.0 1.8 4.6 85 85 A 14 GLY H A 15 ARG H 1.0 1.8 5.6 86 86 A 15 ARG H A 16 ASP H 1.0 1.8 5.6 87 87 A 15 ARG H A 22 THR HG2% 1.0 1.8 6.0 88 88 A 15 ARG HA A 16 ASP H 1.0 1.8 3.6 89 89 A 16 ASP H A 16 ASP HA 1.0 1.8 5.6 90 90 A 16 ASP H A 16 ASP HBy 1.0 1.8 5.6 91 91 A 16 ASP H A 16 ASP HBx 1.0 1.8 5.6 92 92 A 15 ARG H A 16 ASP H 1.0 1.8 5.6 93 93 A 16 ASP H A 17 SER H 1.0 1.8 5.6 94 94 A 22 THR HG2% A 16 ASP HA 1.0 1.8 5.1 95 95 A 16 ASP HA A 91 ASP HBx 1.0 1.8 4.9 96 96 A 16 ASP HBy A 91 ASP HBx 1.0 1.8 5.4 97 97 A 16 ASP HBx A 91 ASP HA 1.0 1.8 4.9 98 98 A 16 ASP HA A 16 ASP HBx 1.0 1.8 5.9 99 99 A 16 ASP HBy A 17 SER H 1.0 1.8 4.6 100 100 A 16 ASP HBx A 17 SER H 1.0 1.8 4.6 101 101 A 17 SER H A 17 SER HA 1.0 1.8 4.6 102 102 A 17 SER H A 18 SER H 1.0 1.8 5.6 103 103 A 17 SER H A 92 GLY H 1.0 1.8 4.6 104 104 A 17 SER H A 91 ASP HBx 1.0 1.8 4.6 105 105 A 17 SER HA A 18 SER H 1.0 1.8 4.6 106 106 A 18 SER H A 18 SER HA 1.0 1.8 5.6 107 107 A 17 SER H A 18 SER H 1.0 1.8 5.6 108 108 A 18 SER H A 19 GLY H 1.0 1.8 5.6 109 109 A 16 ASP HBx A 18 SER H 1.0 1.8 5.6 110 110 A 18 SER H A 92 GLY H 1.0 1.8 5.5 111 111 A 18 SER HA A 19 GLY H 1.0 1.8 3.6 112 112 A 19 GLY HAy A 19 GLY H 1.0 1.8 4.6 113 113 A 19 GLY H A 19 GLY HAx 1.0 1.8 4.6 114 114 A 19 GLY H A 21 THR H 1.0 1.8 5.1 115 115 A 15 ARG HA A 19 GLY H 1.0 1.8 6.2 116 116 A 19 GLY HAx A 20 CYS H 1.0 1.8 4.6 117 117 A 19 GLY HAy A 20 CYS H 1.0 1.8 4.6 118 118 A 20 CYS H A 20 CYS HA 1.0 1.8 5.6 119 119 A 22 THR HG2% A 20 CYS H 1.0 1.8 6.2 120 120 A 16 ASP H A 20 CYS H 1.0 1.8 5.2 121 121 A 16 ASP HBx A 20 CYS H 1.0 1.8 5.2 122 122 A 20 CYS HA A 21 THR HG2% 1.0 1.8 5.9 123 123 A 21 THR H A 20 CYS HA 1.0 1.8 3.6 124 124 A 21 THR H A 21 THR HA 1.0 1.8 4.6 125 125 A 21 THR H A 22 THR HA 1.0 1.8 5.6 126 126 A 21 THR H A 21 THR HB 1.0 1.8 4.6 127 127 A 21 THR H A 21 THR HG2% 1.0 1.8 4.6 128 128 A 22 THR HG2% A 21 THR H 1.0 1.8 4.6 129 129 A 16 ASP H A 21 THR H 1.0 1.8 4.9 130 130 A 15 ARG HA A 21 THR HG2% 1.0 1.8 5.9 131 131 A 21 THR HG2% A 63 THR HB 1.0 1.8 5.9 132 132 A 15 ARG HA A 21 THR HA 1.0 1.8 4.9 133 133 A 22 THR HA A 21 THR HB 1.0 1.8 5.9 134 134 A 20 CYS HA A 21 THR HA 1.0 1.8 5.9 135 135 A 22 THR HG2% A 21 THR HA 1.0 1.8 5.9 136 136 A 21 THR HG2% A 21 THR HA 1.0 1.8 5.9 137 137 A 21 THR HG2% A 21 THR HA 1.0 1.8 5.9 138 138 A 22 THR H A 21 THR HB 1.0 1.8 5.6 139 139 A 22 THR H A 21 THR HA 1.0 1.8 4.6 140 140 A 22 THR H A 21 THR HG2% 1.0 1.8 6.0 141 141 A 22 THR H A 22 THR HB 1.0 1.8 6.0 142 142 A 22 THR H A 22 THR HG2% 1.0 1.8 6.0 143 143 A 22 THR H A 21 THR H 1.0 1.8 5.0 144 144 A 14 GLY H A 22 THR H 1.0 1.8 5.0 145 145 A 14 GLY HAx A 22 THR H 1.0 1.8 6.0 146 146 A 15 ARG HA A 22 THR H 1.0 1.8 4.9 147 147 A 22 THR HG2% A 55 GLN HGy 1.0 1.8 5.2 148 148 A 22 THR HG2% A 22 THR HB 1.0 1.8 6.2 149 149 A 22 THR HG2% A 22 THR HA 1.0 1.8 6.2 150 150 A 22 THR HA A 22 THR HB 1.0 1.8 6.2 151 151 A 22 THR HG2% A 16 ASP HBx 1.0 1.8 4.3 152 152 A 22 THR HG2% A 16 ASP HA 1.0 1.8 6.3 153 153 A 15 ARG HA A 22 THR HG2% 1.0 1.8 5.3 154 154 A 22 THR HG2% A 63 THR HA 1.0 1.8 5.3 155 155 A 22 THR HB A 23 LEU H 1.0 1.8 4.6 156 156 A 22 THR HA A 23 LEU H 1.0 1.8 3.6 157 157 A 22 THR HG2% A 23 LEU H 1.0 1.8 6.0 158 158 A 22 THR H A 23 LEU H 1.0 1.8 6.0 159 159 A 23 LEU HG A 23 LEU H 1.0 1.8 6.0 160 160 A 23 LEU HA A 23 LEU HBy 1.0 1.8 6.0 161 161 A 12 ALA HB% A 23 LEU HA 1.0 1.8 5.0 162 162 A 23 LEU HA A 13 VAL HA 1.0 1.8 4.5 163 163 A 23 LEU HBx A 24 SER H 1.0 1.8 4.6 164 164 A 24 SER H A 23 LEU HBy 1.0 1.8 4.6 165 165 A 23 LEU HA A 24 SER H 1.0 1.8 3.6 166 166 A 24 SER H A 24 SER HA 1.0 1.8 5.6 167 167 A 13 VAL HA A 24 SER H 1.0 1.8 4.8 168 168 A 12 ALA HB% A 24 SER H 1.0 1.8 4.2 169 169 A 11 VAL HA A 24 SER H 1.0 1.8 5.5 170 170 A 24 SER HA A 56 LEU H 1.0 1.8 6.0 171 171 A 24 SER HA A 55 GLN HA 1.0 1.8 4.2 172 172 A 24 SER HA A 25 ILE H 1.0 1.8 3.6 173 173 A 25 ILE H A 25 ILE HB 1.0 1.8 4.6 174 174 A 25 ILE HA A 25 ILE H 1.0 1.8 5.2 175 175 A 25 ILE H A 54 ASP H 1.0 1.8 5.3 176 176 A 25 ILE H A 53 GLY HAy 1.0 1.8 6.2 177 177 A 55 GLN HA A 25 ILE H 1.0 1.8 4.3 178 178 A 11 VAL HA A 25 ILE HA 1.0 1.8 4.9 179 179 A 26 GLN H A 26 GLN HBx 1.0 1.8 4.6 180 180 A 26 GLN H A 27 GLU H 1.0 1.8 4.6 181 181 A 10 ARG H A 26 GLN H 1.0 1.8 5.2 182 182 A 26 GLN H A 11 VAL HA 1.0 1.8 4.9 183 183 A 26 GLN HBy A 52 VAL HB 1.0 1.8 5.6 184 184 A 26 GLN HA A 26 GLN HBy 1.0 1.8 5.6 185 185 A 26 GLN HA A 26 GLN HBy 1.0 1.8 5.6 186 186 A 26 GLN HE2y A 12 ALA HB% 1.0 1.8 4.6 187 187 A 10 ARG HBy A 26 GLN HE2y 1.0 1.8 4.6 188 188 A 11 VAL HA A 26 GLN HE2y 1.0 1.8 5.6 189 189 A 27 GLU H A 26 GLN HBx 1.0 1.8 4.6 190 190 A 27 GLU H A 26 GLN HA 1.0 1.8 4.6 191 191 A 27 GLU H A 26 GLN HBy 1.0 1.8 4.6 192 192 A 26 GLN H A 27 GLU H 1.0 1.8 5.6 193 193 A 10 ARG H A 27 GLU H 1.0 1.8 4.9 194 194 A 9 PHE HA A 27 GLU H 1.0 1.8 5.2 195 195 A 9 PHE HBx A 27 GLU H 1.0 1.8 6.2 196 196 A 28 VAL HA A 28 VAL HB 1.0 1.8 5.9 197 197 A 28 VAL HGx% A 45 ALA HB% 1.0 1.8 4.9 198 198 A 28 VAL HGx% A 45 ALA HA 1.0 1.8 5.9 199 199 A 28 VAL HA A 28 VAL HGx% 1.0 1.8 5.9 200 200 A 28 VAL HGx% A 29 THR H 1.0 1.8 6.0 201 201 A 28 VAL HGy% A 29 THR H 1.0 1.8 6.0 202 202 A 28 VAL HA A 29 THR H 1.0 1.8 3.6 203 203 A 28 VAL HB A 29 THR H 1.0 1.8 5.6 204 204 A 29 THR H A 30 GLN H 1.0 1.8 5.6 205 205 A 29 THR HB A 29 THR HG2% 1.0 1.8 5.9 206 206 A 29 THR HB A 29 THR HA 1.0 1.8 6.2 207 207 A 29 THR HG2% A 29 THR HA 1.0 1.8 5.9 208 208 A 28 VAL HA A 29 THR HA 1.0 1.8 6.2 209 209 A 30 GLN H A 29 THR HG2% 1.0 1.8 5.6 210 210 A 29 THR HB A 30 GLN H 1.0 1.8 5.6 211 211 A 30 GLN H A 29 THR HA 1.0 1.8 3.6 212 212 A 30 GLN H A 30 GLN HA 1.0 1.8 5.6 213 213 A 30 GLN H A 31 THR HG2% 1.0 1.8 5.6 214 214 A 29 THR H A 30 GLN H 1.0 1.8 6.2 215 215 A 30 GLN H A 31 THR H 1.0 1.8 5.2 216 216 A 30 GLN H A 50 LEU HBy 1.0 1.8 4.9 217 217 A 50 LEU HBy A 30 GLN HE2y 1.0 1.8 4.9 218 218 A 30 GLN HA A 31 THR H 1.0 1.8 4.6 219 219 A 31 THR H A 31 THR HA 1.0 1.8 5.6 220 220 A 31 THR H A 32 TYR HA 1.0 1.8 5.6 221 221 A 31 THR H A 31 THR HB 1.0 1.8 5.6 222 222 A 31 THR HG2% A 31 THR H 1.0 1.8 5.6 223 223 A 30 GLN H A 31 THR H 1.0 1.8 5.6 224 224 A 29 THR HA A 31 THR H 1.0 1.8 5.5 225 225 A 31 THR H A 43 GLY H 1.0 1.8 5.5 226 226 A 29 THR HG2% A 31 THR H 1.0 1.8 5.5 227 227 A 31 THR HB A 40 ASP HA 1.0 1.8 5.2 228 228 A 31 THR HA A 42 MET HA 1.0 1.8 5.2 229 229 A 31 THR HA A 31 THR HB 1.0 1.8 6.2 230 230 A 31 THR HG2% A 31 THR HB 1.0 1.8 5.9 231 231 A 31 THR HG2% A 31 THR HA 1.0 1.8 6.2 232 232 A 31 THR HG2% A 41 LEU H 1.0 1.8 5.2 233 233 A 31 THR HG2% A 31 THR HB 1.0 1.8 5.2 234 234 A 31 THR HG2% A 40 ASP HA 1.0 1.8 5.9 235 235 A 31 THR HG2% A 31 THR HA 1.0 1.8 5.2 236 236 A 31 THR HG2% A 32 TYR H 1.0 1.8 6.0 237 237 A 31 THR HA A 32 TYR H 1.0 1.8 3.6 238 238 A 31 THR HB A 32 TYR H 1.0 1.8 4.6 239 239 A 32 TYR HA A 32 TYR H 1.0 1.8 4.6 240 240 A 32 TYR H A 32 TYR HBx 1.0 1.8 5.6 241 241 A 32 TYR H A 32 TYR HBy 1.0 1.8 5.6 242 242 A 32 TYR H A 33 THR H 1.0 1.8 6.2 243 243 A 31 THR H A 32 TYR H 1.0 1.8 5.2 244 244 A 41 LEU H A 32 TYR H 1.0 1.8 4.9 245 245 A 40 ASP HA A 32 TYR H 1.0 1.8 6.2 246 246 A 32 TYR HA A 32 TYR HBy 1.0 1.8 6.0 247 247 A 32 TYR HA A 33 THR H 1.0 1.8 3.6 248 248 A 32 TYR HBy A 33 THR H 1.0 1.8 4.6 249 249 A 32 TYR HBx A 33 THR H 1.0 1.8 4.6 250 250 A 33 THR H A 33 THR HA 1.0 1.8 4.6 251 251 A 33 THR H A 33 THR HB 1.0 1.8 4.6 252 252 A 33 THR H A 33 THR HG2% 1.0 1.8 4.6 253 253 A 32 TYR H A 33 THR H 1.0 1.8 5.2 254 254 A 33 THR H A 34 GLY H 1.0 1.8 5.2 255 255 A 40 ASP HA A 33 THR HB 1.0 1.8 5.9 256 256 A 33 THR HA A 33 THR HG2% 1.0 1.8 6.2 257 257 A 33 THR HG2% A 39 ALA HA 1.0 1.8 5.2 258 258 A 33 THR HG2% A 38 GLY HAy 1.0 1.8 5.2 259 259 A 40 ASP HA A 33 THR HG2% 1.0 1.8 5.2 260 260 A 33 THR HA A 34 GLY H 1.0 1.8 3.6 261 261 A 33 THR HB A 34 GLY H 1.0 1.8 4.6 262 262 A 33 THR HG2% A 34 GLY H 1.0 1.8 6.0 263 263 A 34 GLY H A 34 GLY HAx 1.0 1.8 6.0 264 264 A 34 GLY H A 35 SER H 1.0 1.8 5.0 265 265 A 32 TYR HA A 34 GLY H 1.0 1.8 6.4 266 266 A 34 GLY HAy A 37 GLY HAx 1.0 1.8 5.9 267 267 A 35 SER H A 34 GLY HAy 1.0 1.8 4.6 268 268 A 34 GLY HAx A 35 SER H 1.0 1.8 4.6 269 269 A 34 GLY H A 35 SER H 1.0 1.8 4.6 270 270 A 35 SER H A 39 ALA H 1.0 1.8 6.1 271 271 A 36 ASN H A 35 SER HA 1.0 1.8 4.6 272 272 A 36 ASN H A 36 ASN HA 1.0 1.8 5.6 273 273 A 35 SER H A 36 ASN H 1.0 1.8 6.0 274 274 A 2 LEU H A 36 ASN H 1.0 1.8 5.0 275 275 A 36 ASN HA A 37 GLY H 1.0 1.8 4.6 276 276 A 37 GLY H A 37 GLY HAy 1.0 1.8 5.6 277 277 A 37 GLY HAx A 37 GLY H 1.0 1.8 5.6 278 278 A 36 ASN H A 37 GLY H 1.0 1.8 5.6 279 279 A 37 GLY H A 38 GLY H 1.0 1.8 5.6 280 280 A 33 THR HG2% A 37 GLY H 1.0 1.8 4.9 281 281 A 37 GLY HAx A 80 PRO HA 1.0 1.8 5.9 282 282 A 37 GLY HAy A 38 GLY H 1.0 1.8 4.6 283 283 A 37 GLY HAx A 38 GLY H 1.0 1.8 4.6 284 284 A 38 GLY HAy A 38 GLY H 1.0 1.8 4.6 285 285 A 38 GLY H A 38 GLY HAx 1.0 1.8 4.6 286 286 A 38 GLY H A 39 ALA HB% 1.0 1.8 5.6 287 287 A 33 THR HB A 38 GLY HAy 1.0 1.8 4.9 288 288 A 37 GLY H A 38 GLY H 1.0 1.8 6.2 289 289 A 36 ASN HA A 38 GLY H 1.0 1.8 5.5 290 290 A 33 THR HG2% A 38 GLY H 1.0 1.8 5.5 291 291 A 39 ALA H A 38 GLY HAx 1.0 1.8 4.6 292 292 A 38 GLY HAy A 39 ALA H 1.0 1.8 4.6 293 293 A 39 ALA HA A 39 ALA H 1.0 1.8 5.6 294 294 A 39 ALA H A 39 ALA HB% 1.0 1.8 5.6 295 295 A 39 ALA H A 40 ASP H 1.0 1.8 5.6 296 296 A 40 ASP HA A 39 ALA HA 1.0 1.8 6.2 297 297 A 39 ALA HA A 39 ALA HB% 1.0 1.8 6.2 298 298 A 33 THR HG2% A 39 ALA HA 1.0 1.8 4.9 299 299 A 39 ALA HA A 39 ALA HB% 1.0 1.8 6.2 300 300 A 33 THR HB A 39 ALA HB% 1.0 1.8 4.6 301 301 A 39 ALA HB% A 40 ASP H 1.0 1.8 4.6 302 302 A 39 ALA HA A 40 ASP H 1.0 1.8 3.6 303 303 A 40 ASP HA A 40 ASP H 1.0 1.8 5.6 304 304 A 41 LEU H A 40 ASP H 1.0 1.8 5.6 305 305 A 39 ALA H A 40 ASP H 1.0 1.8 5.6 306 306 A 33 THR HB A 40 ASP H 1.0 1.8 5.2 307 307 A 33 THR HA A 40 ASP H 1.0 1.8 5.9 308 308 A 31 THR HB A 40 ASP HA 1.0 1.8 6.2 309 309 A 40 ASP HA A 41 LEU H 1.0 1.8 3.6 310 310 A 41 LEU H A 32 TYR H 1.0 1.8 4.8 311 311 A 31 THR HA A 41 LEU H 1.0 1.8 5.4 312 312 A 41 LEU H A 33 THR HG2% 1.0 1.8 5.6 313 313 A 41 LEU HA A 41 LEU HBy 1.0 1.8 6.2 314 314 A 41 LEU HA A 41 LEU HBx 1.0 1.8 6.2 315 315 A 41 LEU HA A 42 MET H 1.0 1.8 3.6 316 316 A 41 LEU HBy A 42 MET H 1.0 1.8 5.6 317 317 A 41 LEU HBx A 42 MET H 1.0 1.8 5.6 318 318 A 42 MET H A 42 MET HBy 1.0 1.8 5.6 319 319 A 42 MET H A 42 MET HBx 1.0 1.8 5.6 320 320 A 42 MET HA A 42 MET H 1.0 1.8 5.6 321 321 A 31 THR HA A 42 MET H 1.0 1.8 5.9 322 322 A 42 MET HBy A 42 MET HBx 1.0 1.8 6.2 323 323 A 31 THR HA A 42 MET HA 1.0 1.8 4.9 324 324 A 31 THR HB A 42 MET HA 1.0 1.8 4.9 325 325 A 42 MET HA A 42 MET HBy 1.0 1.8 5.9 326 326 A 31 THR HG2% A 42 MET HA 1.0 1.8 5.9 327 327 A 43 GLY H A 42 MET HBy 1.0 1.8 5.6 328 328 A 43 GLY H A 42 MET HBx 1.0 1.8 5.6 329 329 A 43 GLY H A 42 MET HA 1.0 1.8 3.6 330 330 A 31 THR HA A 43 GLY H 1.0 1.8 4.8 331 331 A 43 GLY H A 32 TYR H 1.0 1.8 5.9 332 332 A 31 THR HG2% A 43 GLY H 1.0 1.8 5.1 333 333 A 43 GLY H A 46 PHE H 1.0 1.8 5.9 334 334 A 45 ALA HB% A 43 GLY H 1.0 1.8 4.9 335 335 A 43 GLY H A 47 ALA HB% 1.0 1.8 5.9 336 336 A 44 PRO HA A 45 ALA H 1.0 1.8 4.6 337 337 A 45 ALA HA A 45 ALA H 1.0 1.8 4.6 338 338 A 45 ALA HB% A 45 ALA H 1.0 1.8 5.6 339 339 A 46 PHE H A 45 ALA H 1.0 1.8 5.2 340 340 A 45 ALA H A 48 ALA H 1.0 1.8 6.2 341 341 A 45 ALA H A 47 ALA H 1.0 1.8 6.5 342 342 A 45 ALA HB% A 48 ALA H 1.0 1.8 5.4 343 343 A 45 ALA HB% A 45 ALA HA 1.0 1.8 5.9 344 344 A 45 ALA HB% A 41 LEU H 1.0 1.8 6.5 345 345 A 45 ALA HA A 31 THR HG2% 1.0 1.8 5.9 346 346 A 45 ALA HB% A 45 ALA HA 1.0 1.8 5.9 347 347 A 45 ALA HA A 46 PHE H 1.0 1.8 4.6 348 348 A 46 PHE H A 47 ALA H 1.0 1.8 4.9 349 349 A 46 PHE H A 45 ALA H 1.0 1.8 4.9 350 350 A 46 PHE H A 48 ALA H 1.0 1.8 4.9 351 351 A 48 ALA H A 46 PHE HA 1.0 1.8 6.2 352 352 A 47 ALA H A 47 ALA HA 1.0 1.8 4.6 353 353 A 47 ALA HB% A 47 ALA H 1.0 1.8 4.6 354 354 A 46 PHE H A 47 ALA H 1.0 1.8 4.6 355 355 A 47 ALA H A 49 GLY H 1.0 1.8 5.0 356 356 A 48 ALA H A 47 ALA H 1.0 1.8 4.6 357 357 A 43 GLY H A 47 ALA H 1.0 1.8 6.4 358 358 A 47 ALA HB% A 44 PRO HA 1.0 1.8 4.9 359 359 A 47 ALA HB% A 47 ALA HA 1.0 1.8 6.4 360 360 A 47 ALA HB% A 47 ALA HA 1.0 1.8 6.4 361 361 A 48 ALA H A 47 ALA HA 1.0 1.8 4.6 362 362 A 47 ALA HB% A 48 ALA H 1.0 1.8 4.6 363 363 A 48 ALA H A 48 ALA HA 1.0 1.8 5.6 364 364 A 48 ALA H A 48 ALA HB% 1.0 1.8 4.6 365 365 A 48 ALA H A 49 GLY HAx 1.0 1.8 6.2 366 366 A 48 ALA H A 47 ALA H 1.0 1.8 4.3 367 367 A 46 PHE H A 48 ALA H 1.0 1.8 5.3 368 368 A 48 ALA H A 49 GLY H 1.0 1.8 4.3 369 369 A 48 ALA H A 99 ILE HG2% 1.0 1.8 6.2 370 370 A 48 ALA H A 100 VAL H 1.0 1.8 5.2 371 371 A 49 GLY H A 48 ALA HB% 1.0 1.8 4.6 372 372 A 49 GLY H A 49 GLY HAy 1.0 1.8 4.6 373 373 A 49 GLY H A 49 GLY HAx 1.0 1.8 4.6 374 374 A 47 ALA H A 49 GLY H 1.0 1.8 6.2 375 375 A 48 ALA H A 49 GLY H 1.0 1.8 4.8 376 376 A 49 GLY H A 50 LEU H 1.0 1.8 4.9 377 377 A 49 GLY H A 99 ILE HG2% 1.0 1.8 6.2 378 378 A 49 GLY HAy A 50 LEU H 1.0 1.8 4.6 379 379 A 50 LEU HBy A 50 LEU H 1.0 1.8 5.6 380 380 A 50 LEU H A 50 LEU HBx 1.0 1.8 5.6 381 381 A 50 LEU H A 51 ARG H 1.0 1.8 5.6 382 382 A 49 GLY H A 50 LEU H 1.0 1.8 5.6 383 383 A 45 ALA HA A 50 LEU H 1.0 1.8 5.9 384 384 A 50 LEU HBy A 48 ALA HB% 1.0 1.8 6.2 385 385 A 50 LEU HBy A 50 LEU HA 1.0 1.8 5.7 386 386 A 45 ALA HB% A 50 LEU HBy 1.0 1.8 5.9 387 387 A 50 LEU HBy A 51 ARG H 1.0 1.8 5.6 388 388 A 50 LEU HBx A 51 ARG H 1.0 1.8 5.6 389 389 A 50 LEU HA A 51 ARG H 1.0 1.8 3.6 390 390 A 51 ARG H A 51 ARG HBy 1.0 1.8 5.6 391 391 A 54 ASP H A 51 ARG H 1.0 1.8 5.9 392 392 A 50 LEU H A 51 ARG H 1.0 1.8 6.0 393 393 A 51 ARG H A 52 VAL HA 1.0 1.8 6.0 394 394 A 51 ARG H A 54 ASP HBy 1.0 1.8 6.0 395 395 A 51 ARG H A 53 GLY H 1.0 1.8 5.9 396 396 A 52 VAL HB A 51 ARG HBx 1.0 1.8 5.9 397 397 A 52 VAL H A 51 ARG HA 1.0 1.8 3.6 398 398 A 52 VAL HA A 52 VAL H 1.0 1.8 5.6 399 399 A 52 VAL HB A 52 VAL H 1.0 1.8 5.6 400 400 A 53 GLY H A 52 VAL H 1.0 1.8 5.6 401 401 A 28 VAL HGy% A 52 VAL H 1.0 1.8 4.6 402 402 A 28 VAL HGx% A 52 VAL H 1.0 1.8 4.6 403 403 A 25 ILE HB A 52 VAL HA 1.0 1.8 5.0 404 404 A 26 GLN HBy A 52 VAL HA 1.0 1.8 5.6 405 405 A 52 VAL HA A 53 GLY H 1.0 1.8 3.6 406 406 A 52 VAL HB A 53 GLY H 1.0 1.8 5.6 407 407 A 53 GLY HAy A 53 GLY H 1.0 1.8 4.6 408 408 A 53 GLY H A 53 GLY HAx 1.0 1.8 4.6 409 409 A 53 GLY H A 52 VAL H 1.0 1.8 6.0 410 410 A 54 ASP H A 53 GLY H 1.0 1.8 4.9 411 411 A 54 ASP HBy A 53 GLY H 1.0 1.8 6.5 412 412 A 25 ILE HB A 53 GLY H 1.0 1.8 4.5 413 413 A 27 GLU H A 53 GLY H 1.0 1.8 5.5 414 414 A 54 ASP H A 53 GLY HAx 1.0 1.8 4.6 415 415 A 54 ASP H A 53 GLY HAy 1.0 1.8 4.6 416 416 A 54 ASP H A 54 ASP HA 1.0 1.8 5.2 417 417 A 54 ASP H A 54 ASP HBy 1.0 1.8 5.2 418 418 A 54 ASP H A 53 GLY H 1.0 1.8 4.6 419 419 A 54 ASP HBx A 55 GLN HGx 1.0 1.8 6.2 420 420 A 25 ILE HB A 54 ASP H 1.0 1.8 4.9 421 421 A 54 ASP H A 51 ARG H 1.0 1.8 6.2 422 422 A 54 ASP H A 52 VAL H 1.0 1.8 6.2 423 423 A 54 ASP H A 52 VAL HA 1.0 1.8 5.2 424 424 A 54 ASP HA A 54 ASP HBx 1.0 1.8 6.2 425 425 A 54 ASP HBy A 55 GLN H 1.0 1.8 5.6 426 426 A 54 ASP HBx A 55 GLN H 1.0 1.8 5.6 427 427 A 54 ASP HA A 55 GLN H 1.0 1.8 4.6 428 428 A 54 ASP H A 55 GLN H 1.0 1.8 6.2 429 429 A 55 GLN H A 89 SER H 1.0 1.8 4.6 430 430 A 55 GLN H A 88 PHE HA 1.0 1.8 4.9 431 431 A 55 GLN H A 89 SER HBx 1.0 1.8 5.2 432 432 A 55 GLN H A 89 SER HBy 1.0 1.8 5.2 433 433 A 55 GLN H A 88 PHE HBy 1.0 1.8 4.6 434 434 A 24 SER HA A 55 GLN HA 1.0 1.8 4.3 435 435 A 55 GLN HGy A 55 GLN HA 1.0 1.8 5.9 436 436 A 22 THR HG2% A 55 GLN HE2y 1.0 1.8 3.9 437 437 A 16 ASP HBy A 55 GLN HE2y 1.0 1.8 4.9 438 438 A 22 THR HB A 55 GLN HE2y 1.0 1.8 4.9 439 439 A 24 SER HA A 55 GLN HE2y 1.0 1.8 5.4 440 440 A 56 LEU H A 55 GLN HA 1.0 1.8 3.6 441 441 A 56 LEU H A 56 LEU HA 1.0 1.8 5.6 442 442 A 55 GLN HGy A 56 LEU H 1.0 1.8 5.6 443 443 A 56 LEU H A 25 ILE H 1.0 1.8 5.2 444 444 A 24 SER HA A 56 LEU H 1.0 1.8 6.2 445 445 A 29 THR HG2% A 56 LEU HBy 1.0 1.8 5.9 446 446 A 56 LEU HA A 56 LEU HBx 1.0 1.8 5.9 447 447 A 56 LEU HA A 56 LEU HBx 1.0 1.8 5.9 448 448 A 88 PHE HA A 56 LEU HA 1.0 1.8 5.2 449 449 A 56 LEU HA A 57 VAL H 1.0 1.8 4.6 450 450 A 89 SER H A 57 VAL H 1.0 1.8 6.4 451 451 A 88 PHE HA A 57 VAL H 1.0 1.8 5.2 452 452 A 56 LEU HBx A 57 VAL HA 1.0 1.8 6.2 453 453 A 57 VAL HA A 57 VAL HB 1.0 1.8 5.6 454 454 A 57 VAL HA A 58 ARG H 1.0 1.8 3.6 455 455 A 58 ARG H A 58 ARG HA 1.0 1.8 5.6 456 456 A 57 VAL H A 58 ARG H 1.0 1.8 5.6 457 457 A 58 ARG H A 86 VAL HA 1.0 1.8 6.2 458 458 A 58 ARG HA A 59 PHE H 1.0 1.8 3.6 459 459 A 59 PHE H A 59 PHE HBy 1.0 1.8 5.6 460 460 A 59 PHE H A 62 TYR H 1.0 1.8 5.1 461 461 A 58 ARG H A 59 PHE H 1.0 1.8 5.2 462 462 A 59 PHE H A 60 ALA H 1.0 1.8 6.2 463 463 A 63 THR HA A 59 PHE H 1.0 1.8 6.2 464 464 A 59 PHE HA A 59 PHE HBx 1.0 1.8 6.2 465 465 A 59 PHE HBy A 60 ALA H 1.0 1.8 5.6 466 466 A 60 ALA H A 59 PHE HBx 1.0 1.8 5.6 467 467 A 60 ALA H A 59 PHE HA 1.0 1.8 3.6 468 468 A 60 ALA H A 60 ALA HA 1.0 1.8 4.6 469 469 A 60 ALA H A 60 ALA HB% 1.0 1.8 4.6 470 470 A 60 ALA H A 61 GLY H 1.0 1.8 5.0 471 471 A 62 TYR H A 60 ALA H 1.0 1.8 6.5 472 472 A 59 PHE HBy A 60 ALA HB% 1.0 1.8 5.4 473 473 A 60 ALA HB% A 87 VAL HB 1.0 1.8 6.0 474 474 A 60 ALA HA A 60 ALA HB% 1.0 1.8 5.4 475 475 A 60 ALA HA A 61 GLY H 1.0 1.8 3.6 476 476 A 60 ALA HB% A 61 GLY H 1.0 1.8 5.6 477 477 A 61 GLY H A 61 GLY HAy 1.0 1.8 5.2 478 478 A 61 GLY H A 61 GLY HAx 1.0 1.8 5.2 479 479 A 60 ALA H A 61 GLY H 1.0 1.8 5.2 480 480 A 62 TYR H A 61 GLY H 1.0 1.8 5.2 481 481 A 61 GLY H A 62 TYR HA 1.0 1.8 6.2 482 482 A 62 TYR H A 61 GLY HAy 1.0 1.8 5.6 483 483 A 62 TYR H A 61 GLY H 1.0 1.8 4.6 484 484 A 62 TYR H A 62 TYR HA 1.0 1.8 5.4 485 485 A 62 TYR H A 60 ALA HA 1.0 1.8 6.4 486 486 A 62 TYR H A 60 ALA HB% 1.0 1.8 5.4 487 487 A 62 TYR H A 94 VAL HGy% 1.0 1.8 6.4 488 488 A 22 THR HG2% A 62 TYR HA 1.0 1.8 6.4 489 489 A 62 TYR HA A 63 THR H 1.0 1.8 3.6 490 490 A 63 THR H A 63 THR HG2% 1.0 1.8 4.6 491 491 A 62 TYR H A 63 THR H 1.0 1.8 6.4 492 492 A 22 THR HG2% A 63 THR HB 1.0 1.8 5.4 493 493 A 59 PHE H A 63 THR HG2% 1.0 1.8 5.1 494 494 A 63 THR HA A 21 THR HB 1.0 1.8 5.1 495 495 A 21 THR HB A 63 THR HG2% 1.0 1.8 5.6 496 496 A 63 THR HB A 63 THR HG2% 1.0 1.8 5.6 497 497 A 63 THR HB A 21 THR HB 1.0 1.8 4.9 498 498 A 63 THR HA A 63 THR HG2% 1.0 1.8 5.6 499 499 A 63 THR HA A 64 VAL H 1.0 1.8 3.6 500 500 A 63 THR HB A 64 VAL H 1.0 1.8 5.6 501 501 A 64 VAL H A 64 VAL HB 1.0 1.8 5.6 502 502 A 63 THR H A 64 VAL H 1.0 1.8 6.2 503 503 A 21 THR HB A 64 VAL H 1.0 1.8 4.9 504 504 A 57 VAL HA A 64 VAL HA 1.0 1.8 5.9 505 505 A 64 VAL HB A 64 VAL HA 1.0 1.8 6.2 506 506 A 64 VAL HA A 69 ALA HB% 1.0 1.8 6.2 507 507 A 64 VAL HA A 65 THR H 1.0 1.8 4.6 508 508 A 64 VAL HB A 65 THR H 1.0 1.8 5.6 509 509 A 65 THR H A 65 THR HB 1.0 1.8 5.6 510 510 A 65 THR H A 65 THR HG2% 1.0 1.8 5.6 511 511 A 64 VAL H A 65 THR H 1.0 1.8 6.2 512 512 A 65 THR H A 66 GLU H 1.0 1.8 5.2 513 513 A 65 THR HB A 65 THR HG2% 1.0 1.8 5.9 514 514 A 65 THR HG2% A 65 THR HA 1.0 1.8 5.9 515 515 A 69 ALA HB% A 65 THR H 1.0 1.8 4.9 516 516 A 65 THR HG2% A 66 GLU HBx 1.0 1.8 4.9 517 517 A 65 THR HB A 66 GLU H 1.0 1.8 5.6 518 518 A 66 GLU H A 66 GLU HA 1.0 1.8 5.6 519 519 A 66 GLU H A 66 GLU HBx 1.0 1.8 5.6 520 520 A 65 THR H A 66 GLU H 1.0 1.8 5.6 521 521 A 66 GLU H A 67 LEU HA 1.0 1.8 6.2 522 522 A 66 GLU H A 70 PHE H 1.0 1.8 4.9 523 523 A 69 ALA HB% A 66 GLU H 1.0 1.8 4.9 524 524 A 67 LEU HBx A 66 GLU HBy 1.0 1.8 5.8 525 525 A 66 GLU HBx A 66 GLU HA 1.0 1.8 5.8 526 526 A 23 LEU HG A 66 GLU HA 1.0 1.8 5.8 527 527 A 23 LEU HBy A 66 GLU HA 1.0 1.8 5.8 528 528 A 66 GLU HBx A 66 GLU HA 1.0 1.8 5.8 529 529 A 66 GLU HBx A 67 LEU H 1.0 1.8 5.6 530 530 A 66 GLU HA A 67 LEU H 1.0 1.8 3.6 531 531 A 67 LEU HA A 67 LEU H 1.0 1.8 5.6 532 532 A 67 LEU H A 68 ALA HB% 1.0 1.8 5.6 533 533 A 70 PHE H A 67 LEU H 1.0 1.8 5.0 534 534 A 66 GLU H A 67 LEU H 1.0 1.8 5.0 535 535 A 67 LEU HBx A 11 VAL HB 1.0 1.8 5.9 536 536 A 67 LEU HA A 70 PHE HBy 1.0 1.8 4.9 537 537 A 67 LEU HA A 70 PHE HBx 1.0 1.8 4.9 538 538 A 67 LEU HA A 70 PHE HA 1.0 1.8 5.6 539 539 A 67 LEU HBx A 68 ALA HB% 1.0 1.8 5.6 540 540 A 67 LEU HA A 68 ALA HB% 1.0 1.8 5.6 541 541 A 67 LEU HA A 67 LEU HBy 1.0 1.8 5.6 542 542 A 67 LEU HA A 68 ALA H 1.0 1.8 5.6 543 543 A 67 LEU HBy A 68 ALA H 1.0 1.8 5.6 544 544 A 67 LEU HBx A 68 ALA H 1.0 1.8 5.6 545 545 A 68 ALA H A 69 ALA HA 1.0 1.8 5.6 546 546 A 68 ALA HB% A 68 ALA H 1.0 1.8 5.6 547 547 A 70 PHE HBx A 68 ALA H 1.0 1.8 5.5 548 548 A 70 PHE H A 68 ALA H 1.0 1.8 4.5 549 549 A 68 ALA H A 71 ASN HBy 1.0 1.8 6.5 550 550 A 68 ALA H A 69 ALA H 1.0 1.8 5.1 551 551 A 66 GLU HA A 68 ALA H 1.0 1.8 4.9 552 552 A 66 GLU HBx A 68 ALA H 1.0 1.8 5.3 553 553 A 68 ALA HB% A 68 ALA HA 1.0 1.8 6.3 554 554 A 68 ALA HB% A 68 ALA HA 1.0 1.8 6.3 555 555 A 67 LEU HBx A 68 ALA HB% 1.0 1.8 6.3 556 556 A 68 ALA HB% A 71 ASN HBx 1.0 1.8 5.3 557 557 A 66 GLU HBx A 68 ALA HB% 1.0 1.8 5.3 558 558 A 68 ALA HB% A 69 ALA H 1.0 1.8 4.6 559 559 A 69 ALA H A 68 ALA HA 1.0 1.8 3.6 560 560 A 69 ALA HA A 69 ALA H 1.0 1.8 5.6 561 561 A 69 ALA HB% A 69 ALA H 1.0 1.8 5.6 562 562 A 70 PHE HA A 69 ALA H 1.0 1.8 5.6 563 563 A 70 PHE H A 69 ALA H 1.0 1.8 4.9 564 564 A 66 GLU HA A 69 ALA H 1.0 1.8 5.2 565 565 A 71 ASN HBy A 69 ALA H 1.0 1.8 6.2 566 566 A 66 GLU HBx A 69 ALA H 1.0 1.8 5.0 567 567 A 67 LEU HBx A 69 ALA H 1.0 1.8 6.2 568 568 A 70 PHE HBx A 69 ALA H 1.0 1.8 4.9 569 569 A 69 ALA HA A 72 THR HG2% 1.0 1.8 4.9 570 570 A 69 ALA HB% A 70 PHE H 1.0 1.8 4.6 571 571 A 70 PHE H A 69 ALA HA 1.0 1.8 4.6 572 572 A 70 PHE H A 70 PHE HBy 1.0 1.8 4.6 573 573 A 70 PHE H A 70 PHE HBx 1.0 1.8 4.6 574 574 A 70 PHE H A 68 ALA H 1.0 1.8 5.0 575 575 A 70 PHE H A 71 ASN H 1.0 1.8 5.0 576 576 A 70 PHE H A 69 ALA H 1.0 1.8 5.0 577 577 A 70 PHE H A 71 ASN HBy 1.0 1.8 5.0 578 578 A 70 PHE HBy A 70 PHE HA 1.0 1.8 6.0 579 579 A 70 PHE HBy A 70 PHE HBx 1.0 1.8 6.0 580 580 A 67 LEU HA A 70 PHE HBx 1.0 1.8 5.0 581 581 A 70 PHE HBx A 70 PHE HA 1.0 1.8 6.0 582 582 A 70 PHE HA A 73 VAL HGy% 1.0 1.8 5.1 583 583 A 70 PHE HA A 71 ASN H 1.0 1.8 4.6 584 584 A 70 PHE HBy A 71 ASN H 1.0 1.8 4.6 585 585 A 70 PHE HBx A 71 ASN H 1.0 1.8 4.6 586 586 A 71 ASN HBx A 71 ASN H 1.0 1.8 5.6 587 587 A 71 ASN HBy A 71 ASN H 1.0 1.8 5.6 588 588 A 69 ALA H A 71 ASN H 1.0 1.8 4.9 589 589 A 70 PHE H A 71 ASN H 1.0 1.8 5.6 590 590 A 71 ASN H A 72 THR H 1.0 1.8 4.9 591 591 A 71 ASN H A 73 VAL HGy% 1.0 1.8 5.6 592 592 A 71 ASN HBy A 71 ASN HA 1.0 1.8 5.6 593 593 A 71 ASN HA A 74 VAL HB 1.0 1.8 5.6 594 594 A 70 PHE HBx A 71 ASN HBx 1.0 1.8 6.1 595 595 A 68 ALA HA A 71 ASN HD2y 1.0 1.8 5.9 596 596 A 4 ARG H A 71 ASN HD2y 1.0 1.8 5.9 597 597 A 68 ALA HA A 71 ASN HBx 1.0 1.8 5.3 598 598 A 71 ASN HBx A 72 THR H 1.0 1.8 5.6 599 599 A 71 ASN HBy A 72 THR H 1.0 1.8 5.6 600 600 A 72 THR H A 71 ASN HA 1.0 1.8 4.6 601 601 A 72 THR H A 72 THR HA 1.0 1.8 4.6 602 602 A 72 THR H A 72 THR HB 1.0 1.8 5.6 603 603 A 72 THR HG2% A 72 THR H 1.0 1.8 5.6 604 604 A 71 ASN H A 72 THR H 1.0 1.8 4.9 605 605 A 70 PHE H A 72 THR H 1.0 1.8 4.9 606 606 A 72 THR H A 73 VAL H 1.0 1.8 4.9 607 607 A 70 PHE HBy A 72 THR H 1.0 1.8 6.2 608 608 A 69 ALA HB% A 72 THR H 1.0 1.8 5.2 609 609 A 68 ALA HB% A 72 THR H 1.0 1.8 5.9 610 610 A 72 THR HB A 75 ALA HB% 1.0 1.8 5.9 611 611 A 72 THR HA A 73 VAL H 1.0 1.8 4.6 612 612 A 72 THR HG2% A 73 VAL H 1.0 1.8 4.6 613 613 A 73 VAL H A 73 VAL HB 1.0 1.8 4.6 614 614 A 73 VAL H A 73 VAL HA 1.0 1.8 4.6 615 615 A 73 VAL HGy% A 73 VAL H 1.0 1.8 4.6 616 616 A 73 VAL H A 74 VAL H 1.0 1.8 4.9 617 617 A 73 VAL H A 77 HIS H 1.0 1.8 6.5 618 618 A 71 ASN HBx A 73 VAL H 1.0 1.8 5.2 619 619 A 73 VAL HB A 73 VAL HGx% 1.0 1.8 5.2 620 620 A 70 PHE HA A 73 VAL HGy% 1.0 1.8 5.9 621 621 A 70 PHE HA A 73 VAL HB 1.0 1.8 4.9 622 622 A 73 VAL HA A 76 ARG HBy 1.0 1.8 4.9 623 623 A 73 VAL HB A 73 VAL HA 1.0 1.8 4.9 624 624 A 73 VAL HA A 73 VAL HGx% 1.0 1.8 5.5 625 625 A 73 VAL HB A 74 VAL H 1.0 1.8 4.6 626 626 A 74 VAL H A 73 VAL HGx% 1.0 1.8 4.6 627 627 A 73 VAL HGy% A 74 VAL H 1.0 1.8 4.6 628 628 A 74 VAL H A 74 VAL HA 1.0 1.8 4.6 629 629 A 74 VAL HB A 74 VAL H 1.0 1.8 5.6 630 630 A 75 ALA HB% A 74 VAL H 1.0 1.8 5.6 631 631 A 74 VAL H A 73 VAL HGx% 1.0 1.8 5.6 632 632 A 73 VAL HGy% A 74 VAL H 1.0 1.8 5.6 633 633 A 74 VAL H A 75 ALA H 1.0 1.8 5.4 634 634 A 70 PHE H A 74 VAL H 1.0 1.8 5.9 635 635 A 71 ASN HA A 74 VAL H 1.0 1.8 5.0 636 636 A 70 PHE HA A 74 VAL H 1.0 1.8 4.9 637 637 A 71 ASN HA A 74 VAL HB 1.0 1.8 4.9 638 638 A 73 VAL HGy% A 74 VAL HB 1.0 1.8 6.0 639 639 A 71 ASN H A 74 VAL HB 1.0 1.8 6.0 640 640 A 74 VAL HA A 75 ALA H 1.0 1.8 4.9 641 641 A 74 VAL HB A 75 ALA H 1.0 1.8 4.9 642 642 A 75 ALA H A 75 ALA HA 1.0 1.8 5.6 643 643 A 77 HIS H A 75 ALA H 1.0 1.8 6.2 644 644 A 74 VAL H A 75 ALA H 1.0 1.8 4.6 645 645 A 76 ARG H A 75 ALA HB% 1.0 1.8 5.6 646 646 A 76 ARG H A 75 ALA HA 1.0 1.8 5.6 647 647 A 76 ARG H A 77 HIS HA 1.0 1.8 6.2 648 648 A 76 ARG H A 76 ARG HBx 1.0 1.8 5.2 649 649 A 76 ARG H A 74 VAL HB 1.0 1.8 5.9 650 650 A 76 ARG H A 73 VAL HB 1.0 1.8 5.9 651 651 A 76 ARG H A 73 VAL HA 1.0 1.8 5.0 652 652 A 76 ARG H A 73 VAL H 1.0 1.8 5.0 653 653 A 76 ARG H A 77 HIS H 1.0 1.8 5.0 654 654 A 76 ARG H A 72 THR H 1.0 1.8 5.6 655 655 A 76 ARG H A 73 VAL HGy% 1.0 1.8 6.2 656 656 A 76 ARG HBx A 76 ARG HA 1.0 1.8 5.2 657 657 A 76 ARG HBy A 76 ARG HA 1.0 1.8 6.2 658 658 A 72 THR HG2% A 76 ARG HBy 1.0 1.8 6.2 659 659 A 77 HIS H A 76 ARG HBy 1.0 1.8 4.6 660 660 A 77 HIS H A 76 ARG HA 1.0 1.8 4.6 661 661 A 77 HIS H A 77 HIS HA 1.0 1.8 5.6 662 662 A 77 HIS H A 77 HIS HBy 1.0 1.8 5.6 663 663 A 77 HIS H A 77 HIS HBx 1.0 1.8 5.6 664 664 A 76 ARG H A 77 HIS H 1.0 1.8 4.9 665 665 A 73 VAL HGy% A 77 HIS H 1.0 1.8 5.6 666 666 A 77 HIS HA A 77 HIS HBy 1.0 1.8 5.6 667 667 A 77 HIS HA A 77 HIS HBy 1.0 1.8 5.6 668 668 A 77 HIS HA A 77 HIS HBx 1.0 1.8 5.6 669 669 A 76 ARG HBy A 77 HIS HA 1.0 1.8 5.6 670 670 A 77 HIS HA A 78 VAL H 1.0 1.8 5.6 671 671 A 78 VAL H A 78 VAL HA 1.0 1.8 5.6 672 672 A 78 VAL H A 78 VAL HB 1.0 1.8 4.6 673 673 A 78 VAL H A 78 VAL HGx% 1.0 1.8 5.6 674 674 A 78 VAL H A 78 VAL HGy% 1.0 1.8 5.6 675 675 A 78 VAL H A 78 VAL HB 1.0 1.8 5.6 676 676 A 78 VAL H A 79 ARG HA 1.0 1.8 6.2 677 677 A 78 VAL H A 79 ARG H 1.0 1.8 5.2 678 678 A 78 VAL H A 82 ALA HB% 1.0 1.8 5.7 679 679 A 78 VAL HB A 78 VAL HGx% 1.0 1.8 5.2 680 680 A 78 VAL HB A 78 VAL HGy% 1.0 1.8 5.0 681 681 A 78 VAL HA A 78 VAL HGx% 1.0 1.8 5.0 682 682 A 78 VAL HA A 102 GLY HAy 1.0 1.8 6.2 683 683 A 78 VAL HA A 78 VAL HB 1.0 1.8 6.2 684 684 A 78 VAL HA A 78 VAL HGy% 1.0 1.8 6.2 685 685 A 34 GLY H A 78 VAL HGx% 1.0 1.8 5.9 686 686 A 78 VAL HA A 79 ARG H 1.0 1.8 4.9 687 687 A 78 VAL HB A 79 ARG H 1.0 1.8 4.9 688 688 A 78 VAL HGx% A 79 ARG H 1.0 1.8 5.6 689 689 A 78 VAL HGy% A 79 ARG H 1.0 1.8 5.6 690 690 A 78 VAL H A 79 ARG H 1.0 1.8 4.9 691 691 A 77 HIS HBy A 79 ARG H 1.0 1.8 4.4 692 692 A 79 ARG H A 82 ALA H 1.0 1.8 5.4 693 693 A 79 ARG H A 1 PRO HBy 1.0 1.8 6.4 694 694 A 79 ARG H A 101 VAL HB 1.0 1.8 6.4 695 695 A 81 SER H A 80 PRO HBy 1.0 1.8 5.6 696 696 A 81 SER H A 80 PRO HBx 1.0 1.8 5.6 697 697 A 80 PRO HA A 81 SER H 1.0 1.8 4.0 698 698 A 81 SER H A 81 SER HA 1.0 1.8 5.6 699 699 A 82 ALA H A 81 SER H 1.0 1.8 5.4 700 700 A 81 SER H A 101 VAL H 1.0 1.8 5.9 701 701 A 101 VAL HB A 81 SER H 1.0 1.8 6.1 702 702 A 81 SER H A 102 GLY H 1.0 1.8 5.9 703 703 A 102 GLY HAy A 81 SER H 1.0 1.8 4.4 704 704 A 82 ALA H A 82 ALA HA 1.0 1.8 6.5 705 705 A 82 ALA H A 83 SER HA 1.0 1.8 6.5 706 706 A 82 ALA HB% A 82 ALA H 1.0 1.8 5.0 707 707 A 82 ALA H A 83 SER H 1.0 1.8 5.0 708 708 A 82 ALA H A 81 SER H 1.0 1.8 5.0 709 709 A 82 ALA H A 101 VAL HB 1.0 1.8 5.0 710 710 A 82 ALA H A 101 VAL H 1.0 1.8 4.4 711 711 A 82 ALA HB% A 82 ALA HA 1.0 1.8 5.4 712 712 A 82 ALA HB% A 101 VAL HB 1.0 1.8 5.4 713 713 A 82 ALA HB% A 82 ALA HA 1.0 1.8 5.4 714 714 A 82 ALA HB% A 81 SER HA 1.0 1.8 6.1 715 715 A 82 ALA HB% A 83 SER H 1.0 1.8 4.6 716 716 A 82 ALA HA A 83 SER H 1.0 1.8 4.6 717 717 A 83 SER HA A 83 SER H 1.0 1.8 5.6 718 718 A 83 SER H A 83 SER HBy 1.0 1.8 5.6 719 719 A 83 SER H A 83 SER HBx 1.0 1.8 5.6 720 720 A 83 SER H A 84 ILE H 1.0 1.8 6.0 721 721 A 82 ALA H A 83 SER H 1.0 1.8 5.0 722 722 A 83 SER HBx A 98 THR HG2% 1.0 1.8 6.0 723 723 A 83 SER HA A 100 VAL HA 1.0 1.8 4.2 724 724 A 83 SER HA A 83 SER HBy 1.0 1.8 6.0 725 725 A 83 SER HBx A 84 ILE H 1.0 1.8 6.0 726 726 A 83 SER HBx A 99 ILE H 1.0 1.8 6.0 727 727 A 83 SER HA A 83 SER HBx 1.0 1.8 6.0 728 728 A 83 SER HA A 99 ILE H 1.0 1.8 6.0 729 729 A 83 SER HBy A 84 ILE H 1.0 1.8 5.6 730 730 A 83 SER HA A 84 ILE H 1.0 1.8 5.6 731 731 A 83 SER H A 84 ILE H 1.0 1.8 6.0 732 732 A 84 ILE H A 99 ILE H 1.0 1.8 4.6 733 733 A 84 ILE H A 100 VAL HA 1.0 1.8 6.5 734 734 A 84 ILE H A 99 ILE HA 1.0 1.8 6.4 735 735 A 84 ILE H A 99 ILE HB 1.0 1.8 6.4 736 736 A 84 ILE H A 98 THR HG2% 1.0 1.8 5.4 737 737 A 85 PRO HA A 85 PRO HBy 1.0 1.8 5.9 738 738 A 85 PRO HA A 86 VAL H 1.0 1.8 5.9 739 739 A 98 THR HG2% A 85 PRO HA 1.0 1.8 5.9 740 740 A 99 ILE H A 85 PRO HA 1.0 1.8 4.9 741 741 A 85 PRO HA A 86 VAL H 1.0 1.8 4.9 742 742 A 86 VAL H A 85 PRO HBx 1.0 1.8 5.6 743 743 A 85 PRO HBy A 86 VAL H 1.0 1.8 5.6 744 744 A 86 VAL H A 97 ALA H 1.0 1.8 4.3 745 745 A 86 VAL H A 96 SER HA 1.0 1.8 6.2 746 746 A 86 VAL H A 97 ALA HB% 1.0 1.8 5.3 747 747 A 86 VAL HA A 86 VAL HB 1.0 1.8 6.2 748 748 A 86 VAL HA A 87 VAL H 1.0 1.8 3.6 749 749 A 86 VAL HB A 87 VAL H 1.0 1.8 5.6 750 750 A 86 VAL HB A 87 VAL H 1.0 1.8 5.6 751 751 A 57 VAL H A 87 VAL H 1.0 1.8 4.6 752 752 A 58 ARG H A 87 VAL H 1.0 1.8 4.8 753 753 A 60 ALA H A 87 VAL H 1.0 1.8 5.6 754 754 A 58 ARG HA A 87 VAL H 1.0 1.8 4.6 755 755 A 87 VAL HA A 96 SER HA 1.0 1.8 4.6 756 756 A 87 VAL HA A 88 PHE H 1.0 1.8 4.6 757 757 A 89 SER H A 88 PHE H 1.0 1.8 6.2 758 758 A 88 PHE HBy A 88 PHE H 1.0 1.8 6.4 759 759 A 88 PHE H A 88 PHE HBx 1.0 1.8 6.4 760 760 A 96 SER HA A 88 PHE H 1.0 1.8 4.6 761 761 A 88 PHE H A 95 MET HGx 1.0 1.8 5.6 762 762 A 88 PHE H A 95 MET HBy 1.0 1.8 5.2 763 763 A 88 PHE HA A 56 LEU HA 1.0 1.8 4.2 764 764 A 88 PHE HA A 88 PHE HBy 1.0 1.8 6.2 765 765 A 89 SER H A 88 PHE HBy 1.0 1.8 5.6 766 766 A 89 SER H A 88 PHE HBx 1.0 1.8 5.6 767 767 A 89 SER H A 88 PHE HA 1.0 1.8 4.6 768 768 A 89 SER H A 89 SER HA 1.0 1.8 5.6 769 769 A 89 SER H A 89 SER HBy 1.0 1.8 5.6 770 770 A 89 SER H A 89 SER HBx 1.0 1.8 5.6 771 771 A 89 SER HBy A 94 VAL HA 1.0 1.8 5.6 772 772 A 89 SER H A 57 VAL H 1.0 1.8 5.1 773 773 A 55 GLN H A 89 SER H 1.0 1.8 4.6 774 774 A 89 SER HBy A 89 SER HA 1.0 1.8 6.0 775 775 A 89 SER H A 56 LEU HA 1.0 1.8 4.9 776 776 A 55 GLN HGx A 89 SER HBy 1.0 1.8 5.6 777 777 A 89 SER HA A 94 VAL HA 1.0 1.8 4.9 778 778 A 89 SER HBx A 89 SER HA 1.0 1.8 6.0 779 779 A 89 SER HA A 90 ARG HBx 1.0 1.8 5.6 780 780 A 94 VAL HGy% A 89 SER HA 1.0 1.8 6.0 781 781 A 89 SER HBx A 90 ARG H 1.0 1.8 5.6 782 782 A 89 SER HBy A 90 ARG H 1.0 1.8 5.6 783 783 A 89 SER HA A 90 ARG H 1.0 1.8 3.9 784 784 A 90 ARG H A 90 ARG HA 1.0 1.8 5.6 785 785 A 90 ARG H A 91 ASP HBy 1.0 1.8 6.2 786 786 A 90 ARG HBx A 90 ARG H 1.0 1.8 5.6 787 787 A 90 ARG H A 91 ASP H 1.0 1.8 5.9 788 788 A 90 ARG H A 94 VAL H 1.0 1.8 6.0 789 789 A 90 ARG H A 93 VAL H 1.0 1.8 4.0 790 790 A 94 VAL HA A 90 ARG H 1.0 1.8 5.0 791 791 A 90 ARG HA A 90 ARG HBy 1.0 1.8 5.6 792 792 A 90 ARG HA A 91 ASP H 1.0 1.8 3.6 793 793 A 91 ASP HA A 91 ASP H 1.0 1.8 4.6 794 794 A 91 ASP HBy A 91 ASP H 1.0 1.8 5.6 795 795 A 91 ASP HBx A 91 ASP H 1.0 1.8 5.6 796 796 A 92 GLY H A 91 ASP H 1.0 1.8 5.6 797 797 A 91 ASP H A 92 GLY HAx 1.0 1.8 6.0 798 798 A 91 ASP H A 93 VAL H 1.0 1.8 6.5 799 799 A 90 ARG H A 91 ASP H 1.0 1.8 6.4 800 800 A 16 ASP HA A 91 ASP H 1.0 1.8 5.9 801 801 A 90 ARG HA A 91 ASP HBy 1.0 1.8 5.9 802 802 A 16 ASP HBx A 91 ASP HBy 1.0 1.8 5.9 803 803 A 91 ASP HA A 91 ASP HBy 1.0 1.8 5.9 804 804 A 16 ASP HBx A 91 ASP HA 1.0 1.8 4.9 805 805 A 92 GLY H A 91 ASP HBy 1.0 1.8 6.5 806 806 A 91 ASP HBx A 92 GLY H 1.0 1.8 6.5 807 807 A 92 GLY H A 92 GLY HAx 1.0 1.8 4.6 808 808 A 92 GLY H A 90 ARG H 1.0 1.8 5.9 809 809 A 92 GLY H A 91 ASP H 1.0 1.8 4.6 810 810 A 92 GLY H A 93 VAL H 1.0 1.8 4.6 811 811 A 92 GLY H A 93 VAL HB 1.0 1.8 6.0 812 812 A 16 ASP HBx A 92 GLY H 1.0 1.8 4.9 813 813 A 93 VAL H A 92 GLY HAx 1.0 1.8 4.6 814 814 A 93 VAL H A 93 VAL HA 1.0 1.8 4.6 815 815 A 93 VAL H A 93 VAL HB 1.0 1.8 4.6 816 816 A 92 GLY H A 93 VAL H 1.0 1.8 5.2 817 817 A 91 ASP H A 93 VAL H 1.0 1.8 5.9 818 818 A 90 ARG H A 93 VAL H 1.0 1.8 4.6 819 819 A 91 ASP HBy A 93 VAL H 1.0 1.8 6.2 820 820 A 91 ASP HBx A 93 VAL H 1.0 1.8 6.2 821 821 A 89 SER HA A 93 VAL H 1.0 1.8 5.9 822 822 A 90 ARG H A 93 VAL HB 1.0 1.8 4.9 823 823 A 94 VAL H A 93 VAL HA 1.0 1.8 3.6 824 824 A 94 VAL H A 93 VAL HB 1.0 1.8 5.6 825 825 A 94 VAL H A 93 VAL H 1.0 1.8 5.6 826 826 A 94 VAL H A 95 MET H 1.0 1.8 5.6 827 827 A 94 VAL H A 94 VAL HB 1.0 1.8 4.6 828 828 A 89 SER HA A 94 VAL H 1.0 1.8 6.2 829 829 A 94 VAL HGy% A 89 SER HA 1.0 1.8 5.2 830 830 A 94 VAL HGy% A 94 VAL HA 1.0 1.8 5.2 831 831 A 94 VAL HA A 95 MET H 1.0 1.8 5.2 832 832 A 94 VAL HA A 94 VAL HB 1.0 1.8 5.2 833 833 A 89 SER HA A 94 VAL HA 1.0 1.8 4.9 834 834 A 94 VAL HA A 95 MET H 1.0 1.8 3.6 835 835 A 94 VAL HGy% A 95 MET H 1.0 1.8 4.6 836 836 A 94 VAL H A 95 MET H 1.0 1.8 6.2 837 837 A 95 MET H A 96 SER H 1.0 1.8 6.2 838 838 A 95 MET HGx A 95 MET H 1.0 1.8 6.2 839 839 A 95 MET HBy A 95 MET H 1.0 1.8 4.6 840 840 A 88 PHE H A 95 MET H 1.0 1.8 4.9 841 841 A 89 SER HA A 95 MET H 1.0 1.8 4.9 842 842 A 89 SER HBy A 95 MET H 1.0 1.8 6.0 843 843 A 89 SER HBx A 95 MET H 1.0 1.8 6.0 844 844 A 95 MET HBy A 95 MET HA 1.0 1.8 6.0 845 845 A 95 MET HA A 95 MET HBx 1.0 1.8 6.0 846 846 A 95 MET HGx A 95 MET HA 1.0 1.8 6.0 847 847 A 95 MET HA A 95 MET HGy 1.0 1.8 6.0 848 848 A 95 MET HA A 95 MET HBx 1.0 1.8 6.0 849 849 A 96 SER H A 95 MET HA 1.0 1.8 3.6 850 850 A 96 SER H A 95 MET HBx 1.0 1.8 4.6 851 851 A 95 MET HBy A 96 SER H 1.0 1.8 4.6 852 852 A 96 SER H A 95 MET HGy 1.0 1.8 5.6 853 853 A 95 MET HGx A 96 SER H 1.0 1.8 5.6 854 854 A 87 VAL HA A 96 SER HA 1.0 1.8 4.5 855 855 A 96 SER HA A 97 ALA HB% 1.0 1.8 6.4 856 856 A 97 ALA H A 96 SER HA 1.0 1.8 3.6 857 857 A 97 ALA H A 97 ALA HB% 1.0 1.8 4.6 858 858 A 97 ALA H A 98 THR H 1.0 1.8 5.9 859 859 A 97 ALA H A 98 THR HA 1.0 1.8 4.9 860 860 A 97 ALA H A 96 SER H 1.0 1.8 5.9 861 861 A 97 ALA H A 86 VAL HB 1.0 1.8 5.6 862 862 A 86 VAL H A 97 ALA H 1.0 1.8 4.1 863 863 A 87 VAL HB A 97 ALA H 1.0 1.8 6.5 864 864 A 97 ALA HB% A 97 ALA HA 1.0 1.8 5.9 865 865 A 98 THR H A 97 ALA HA 1.0 1.8 3.6 866 866 A 98 THR H A 98 THR HB 1.0 1.8 5.0 867 867 A 97 ALA H A 98 THR H 1.0 1.8 6.4 868 868 A 48 ALA HB% A 98 THR HA 1.0 1.8 5.4 869 869 A 86 VAL H A 98 THR HA 1.0 1.8 4.9 870 870 A 48 ALA HB% A 98 THR HG2% 1.0 1.8 5.4 871 871 A 99 ILE H A 98 THR HB 1.0 1.8 5.4 872 872 A 98 THR HG2% A 98 THR HA 1.0 1.8 5.4 873 873 A 99 ILE H A 98 THR HA 1.0 1.8 3.6 874 874 A 99 ILE H A 98 THR HB 1.0 1.8 5.6 875 875 A 98 THR HG2% A 99 ILE H 1.0 1.8 4.6 876 876 A 99 ILE H A 99 ILE HA 1.0 1.8 5.6 877 877 A 99 ILE H A 99 ILE HB 1.0 1.8 4.6 878 878 A 84 ILE H A 99 ILE H 1.0 1.8 4.9 879 879 A 83 SER HA A 99 ILE H 1.0 1.8 6.2 880 880 A 48 ALA HB% A 99 ILE HA 1.0 1.8 5.4 881 881 A 100 VAL H A 99 ILE HA 1.0 1.8 3.6 882 882 A 100 VAL H A 99 ILE HB 1.0 1.8 5.6 883 883 A 100 VAL H A 100 VAL HA 1.0 1.8 5.6 884 884 A 100 VAL H A 100 VAL HB 1.0 1.8 4.6 885 885 A 48 ALA HB% A 100 VAL H 1.0 1.8 5.6 886 886 A 83 SER HA A 100 VAL HA 1.0 1.8 4.3 887 887 A 100 VAL HA A 100 VAL HB 1.0 1.8 5.6 888 888 A 101 VAL H A 100 VAL HA 1.0 1.8 4.6 889 889 A 101 VAL H A 100 VAL HB 1.0 1.8 5.6 890 890 A 101 VAL H A 102 GLY H 1.0 1.8 6.0 891 891 A 101 VAL H A 101 VAL HA 1.0 1.8 6.0 892 892 A 101 VAL HB A 101 VAL H 1.0 1.8 6.0 893 893 A 100 VAL H A 101 VAL H 1.0 1.8 6.0 894 894 A 101 VAL HB A 100 VAL HB 1.0 1.8 6.2 895 895 A 82 ALA HB% A 101 VAL HB 1.0 1.8 5.6 896 896 A 82 ALA H A 101 VAL H 1.0 1.8 4.4 897 897 A 101 VAL H A 83 SER HA 1.0 1.8 4.9 898 898 A 82 ALA HB% A 101 VAL H 1.0 1.8 5.4 899 899 A 44 PRO HA A 101 VAL HB 1.0 1.8 6.0 900 900 A 102 GLY H A 101 VAL HA 1.0 1.8 4.6 901 901 A 101 VAL HB A 102 GLY H 1.0 1.8 5.6 902 902 A 101 VAL H A 102 GLY H 1.0 1.8 6.0 903 903 A 102 GLY HAy A 102 GLY H 1.0 1.8 5.6 904 904 A 102 GLY H A 102 GLY HAx 1.0 1.8 5.6 905 905 A 44 PRO HA A 102 GLY H 1.0 1.8 5.8 906 906 A 102 GLY HAy A 103 GLU H 1.0 1.8 5.6 907 907 A 102 GLY HAx A 103 GLU H 1.0 1.8 5.6 908 908 A 101 VAL HA A 103 GLU H 1.0 1.8 6.0 909 909 A 103 GLU H A 104 LEU H 1.0 1.8 6.0 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 26 GLN H A 10 ARG O 1.0 2.5 2.5 2 2 A 10 ARG O A 26 GLN N 1.0 3.5 3.5 3 3 A 12 ALA H A 24 SER O 1.0 2.5 2.5 4 4 A 24 SER O A 12 ALA N 1.0 3.5 3.5 5 5 A 24 SER H A 12 ALA O 1.0 2.5 2.5 6 6 A 12 ALA O A 24 SER N 1.0 3.5 3.5 7 7 A 101 VAL H A 82 ALA O 1.0 2.5 2.5 8 8 A 82 ALA O A 101 VAL N 1.0 3.5 3.5 9 9 A 82 ALA H A 101 VAL O 1.0 2.5 2.5 10 10 A 101 VAL O A 82 ALA N 1.0 3.5 3.5 11 11 A 99 ILE H A 84 ILE O 1.0 2.5 2.5 12 12 A 84 ILE O A 99 ILE N 1.0 3.5 3.5 13 13 A 84 ILE H A 99 ILE O 1.0 2.5 2.5 14 14 A 99 ILE O A 84 ILE N 1.0 3.5 3.5 15 15 A 97 ALA H A 86 VAL O 1.0 2.5 2.5 16 16 A 86 VAL O A 97 ALA N 1.0 3.5 3.5 17 17 A 86 VAL H A 97 ALA O 1.0 2.5 2.5 18 18 A 97 ALA O A 86 VAL N 1.0 3.5 3.5 19 19 A 95 MET H A 88 PHE O 1.0 2.5 2.5 20 20 A 88 PHE O A 95 MET N 1.0 3.5 3.5 21 21 A 88 PHE H A 95 MET O 1.0 2.5 2.5 22 22 A 95 MET O A 88 PHE N 1.0 3.5 3.5 23 23 A 93 VAL H A 90 ARG O 1.0 2.5 2.5 24 24 A 90 ARG O A 93 VAL N 1.0 3.5 3.5 25 25 A 90 ARG H A 93 VAL O 1.0 2.5 2.5 26 26 A 93 VAL O A 90 ARG N 1.0 3.5 3.5 27 27 A 55 GLN H A 89 SER O 1.0 2.5 2.5 28 28 A 89 SER O A 55 GLN N 1.0 3.5 3.5 29 29 A 89 SER H A 55 GLN O 1.0 2.5 2.5 30 30 A 55 GLN O A 89 SER N 1.0 3.5 3.5 31 31 A 57 VAL H A 87 VAL O 1.0 2.5 2.5 32 32 A 87 VAL O A 57 VAL N 1.0 3.5 3.5 33 33 A 54 ASP H A 25 ILE O 1.0 2.5 2.5 34 34 A 25 ILE O A 54 ASP N 1.0 3.5 3.5 35 35 A 62 TYR H A 59 PHE O 1.0 2.5 2.5 36 36 A 59 PHE O A 62 TYR N 1.0 3.5 3.5 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 LEU C A 3 THR N A 3 THR CA A 3 THR C 1.0 -129.61 -88.87 PHI 2 2 A 3 THR N A 3 THR CA A 3 THR C A 4 ARG N 1.0 154.65 166.97 PSI 3 3 A 5 PRO C A 6 TYR N A 6 TYR CA A 6 TYR C 1.0 -123.65 -85.89 PHI 4 4 A 6 TYR N A 6 TYR CA A 6 TYR C A 7 LEU N 1.0 126.97 152.61 PSI 5 5 A 6 TYR C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -94.56 -53.00 PHI 6 6 A 7 LEU N A 7 LEU CA A 7 LEU C A 8 GLY N 1.0 123.07 141.65 PSI 7 7 A 9 PHE C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 -147.25 -114.17 PHI 8 8 A 10 ARG N A 10 ARG CA A 10 ARG C A 11 VAL N 1.0 138.96 173.74 PSI 9 9 A 10 ARG C A 11 VAL N A 11 VAL CA A 11 VAL C 1.0 -154.86 -127.12 PHI 10 10 A 11 VAL C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -124.32 -108.62 PHI 11 11 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 VAL N 1.0 122.00 141.30 PSI 12 12 A 12 ALA C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -122.74 -80.34 PHI 13 13 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 GLY N 1.0 107.43 135.89 PSI 14 14 A 14 GLY C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -132.72 -101.82 PHI 15 15 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 ASP N 1.0 128.26 145.32 PSI 16 16 A 15 ARG C A 16 ASP N A 16 ASP CA A 16 ASP C 1.0 -98.92 -83.98 PHI 17 17 A 16 ASP N A 16 ASP CA A 16 ASP C A 17 SER N 1.0 157.09 184.91 PSI 18 18 A 16 ASP C A 17 SER N A 17 SER CA A 17 SER C 1.0 -81.02 -55.26 PHI 19 19 A 17 SER N A 17 SER CA A 17 SER C A 18 SER N 1.0 -26.67 4.25 PSI 20 20 A 21 THR C A 22 THR N A 22 THR CA A 22 THR C 1.0 -142.05 -112.57 PHI 21 21 A 22 THR N A 22 THR CA A 22 THR C A 23 LEU N 1.0 140.57 173.67 PSI 22 22 A 22 THR C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -147.60 -94.74 PHI 23 23 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 SER N 1.0 110.13 159.87 PSI 24 24 A 23 LEU C A 24 SER N A 24 SER CA A 24 SER C 1.0 -150.57 -80.73 PHI 25 25 A 24 SER N A 24 SER CA A 24 SER C A 25 ILE N 1.0 129.70 180.52 PSI 26 26 A 24 SER C A 25 ILE N A 25 ILE CA A 25 ILE C 1.0 -96.10 -68.78 PHI 27 27 A 25 ILE N A 25 ILE CA A 25 ILE C A 26 GLN N 1.0 111.11 132.83 PSI 28 28 A 26 GLN C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -143.04 -113.84 PHI 29 29 A 27 GLU C A 28 VAL N A 28 VAL CA A 28 VAL C 1.0 -125.04 -99.12 PHI 30 30 A 28 VAL C A 29 THR N A 29 THR CA A 29 THR C 1.0 -96.79 -53.73 PHI 31 31 A 31 THR C A 32 TYR N A 32 TYR CA A 32 TYR C 1.0 -160.32 -123.40 PHI 32 32 A 32 TYR N A 32 TYR CA A 32 TYR C A 33 THR N 1.0 147.13 179.69 PSI 33 33 A 46 PHE C A 47 ALA N A 47 ALA CA A 47 ALA C 1.0 -73.80 -58.32 PHI 34 34 A 47 ALA N A 47 ALA CA A 47 ALA C A 48 ALA N 1.0 -38.38 -12.68 PSI 35 35 A 47 ALA C A 48 ALA N A 48 ALA CA A 48 ALA C 1.0 -89.66 -79.64 PHI 36 36 A 48 ALA N A 48 ALA CA A 48 ALA C A 49 GLY N 1.0 -12.28 7.62 PSI 37 37 A 48 ALA C A 49 GLY N A 49 GLY CA A 49 GLY C 1.0 87.87 109.63 PHI 38 38 A 49 GLY N A 49 GLY CA A 49 GLY C A 50 LEU N 1.0 2.19 15.09 PSI 39 39 A 50 LEU C A 51 ARG N A 51 ARG CA A 51 ARG C 1.0 -142.51 -106.79 PHI 40 40 A 51 ARG N A 51 ARG CA A 51 ARG C A 52 VAL N 1.0 157.16 177.88 PSI 41 41 A 51 ARG C A 52 VAL N A 52 VAL CA A 52 VAL C 1.0 -81.06 -55.76 PHI 42 42 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 GLY N 1.0 112.82 141.02 PSI 43 43 A 53 GLY C A 54 ASP N A 54 ASP CA A 54 ASP C 1.0 -100.89 -66.45 PHI 44 44 A 54 ASP N A 54 ASP CA A 54 ASP C A 55 GLN N 1.0 114.29 154.31 PSI 45 45 A 54 ASP C A 55 GLN N A 55 GLN CA A 55 GLN C 1.0 -136.37 -69.83 PHI 46 46 A 55 GLN N A 55 GLN CA A 55 GLN C A 56 LEU N 1.0 110.46 148.50 PSI 47 47 A 56 LEU C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -104.77 -75.65 PHI 48 48 A 58 ARG C A 59 PHE N A 59 PHE CA A 59 PHE C 1.0 -141.45 -102.09 PHI 49 49 A 59 PHE N A 59 PHE CA A 59 PHE C A 60 ALA N 1.0 114.90 147.42 PSI 50 50 A 63 THR C A 64 VAL N A 64 VAL CA A 64 VAL C 1.0 -147.99 -99.19 PHI 51 51 A 64 VAL N A 64 VAL CA A 64 VAL C A 65 THR N 1.0 155.40 178.76 PSI 52 52 A 65 THR C A 66 GLU N A 66 GLU CA A 66 GLU C 1.0 -155.23 -117.53 PHI 53 53 A 66 GLU C A 67 LEU N A 67 LEU CA A 67 LEU C 1.0 -66.18 -53.64 PHI 54 54 A 67 LEU N A 67 LEU CA A 67 LEU C A 68 ALA N 1.0 -47.48 -26.70 PSI 55 55 A 67 LEU C A 68 ALA N A 68 ALA CA A 68 ALA C 1.0 -66.47 -57.69 PHI 56 56 A 68 ALA N A 68 ALA CA A 68 ALA C A 69 ALA N 1.0 -43.69 -35.03 PSI 57 57 A 68 ALA C A 69 ALA N A 69 ALA CA A 69 ALA C 1.0 -68.37 -56.93 PHI 58 58 A 69 ALA N A 69 ALA CA A 69 ALA C A 70 PHE N 1.0 -48.77 -34.75 PSI 59 59 A 69 ALA C A 70 PHE N A 70 PHE CA A 70 PHE C 1.0 -67.67 -61.47 PHI 60 60 A 70 PHE C A 71 ASN N A 71 ASN CA A 71 ASN C 1.0 -72.03 -60.27 PHI 61 61 A 71 ASN N A 71 ASN CA A 71 ASN C A 72 THR N 1.0 -44.80 -26.52 PSI 62 62 A 71 ASN C A 72 THR N A 72 THR CA A 72 THR C 1.0 -71.53 -60.51 PHI 63 63 A 72 THR N A 72 THR CA A 72 THR C A 73 VAL N 1.0 -46.45 -35.59 PSI 64 64 A 72 THR C A 73 VAL N A 73 VAL CA A 73 VAL C 1.0 -70.29 -57.37 PHI 65 65 A 73 VAL N A 73 VAL CA A 73 VAL C A 74 VAL N 1.0 -49.15 -41.17 PSI 66 66 A 73 VAL C A 74 VAL N A 74 VAL CA A 74 VAL C 1.0 -67.31 -58.87 PHI 67 67 A 74 VAL N A 74 VAL CA A 74 VAL C A 75 ALA N 1.0 -49.39 -37.49 PSI 68 68 A 74 VAL C A 75 ALA N A 75 ALA CA A 75 ALA C 1.0 -72.02 -56.86 PHI 69 69 A 75 ALA N A 75 ALA CA A 75 ALA C A 76 ARG N 1.0 -43.24 -17.50 PSI 70 70 A 75 ALA C A 76 ARG N A 76 ARG CA A 76 ARG C 1.0 -78.09 -50.15 PHI 71 71 A 76 ARG N A 76 ARG CA A 76 ARG C A 77 HIS N 1.0 -53.86 -19.40 PSI 72 72 A 76 ARG C A 77 HIS N A 77 HIS CA A 77 HIS C 1.0 -117.42 -78.24 PHI 73 73 A 78 VAL C A 79 ARG N A 79 ARG CA A 79 ARG C 1.0 -120.68 -76.94 PHI 74 74 A 82 ALA C A 83 SER N A 83 SER CA A 83 SER C 1.0 -115.22 -77.22 PHI 75 75 A 83 SER N A 83 SER CA A 83 SER C A 84 ILE N 1.0 85.32 143.44 PSI 76 76 A 83 SER C A 84 ILE N A 84 ILE CA A 84 ILE C 1.0 -124.44 -73.46 PHI 77 77 A 85 PRO C A 86 VAL N A 86 VAL CA A 86 VAL C 1.0 -131.28 -99.74 PHI 78 78 A 86 VAL N A 86 VAL CA A 86 VAL C A 87 VAL N 1.0 113.69 138.61 PSI 79 79 A 86 VAL C A 87 VAL N A 87 VAL CA A 87 VAL C 1.0 -121.69 -89.97 PHI 80 80 A 87 VAL N A 87 VAL CA A 87 VAL C A 88 PHE N 1.0 112.86 136.50 PSI 81 81 A 87 VAL C A 88 PHE N A 88 PHE CA A 88 PHE C 1.0 -129.60 -100.28 PHI 82 82 A 88 PHE N A 88 PHE CA A 88 PHE C A 89 SER N 1.0 121.69 162.67 PSI 83 83 A 88 PHE C A 89 SER N A 89 SER CA A 89 SER C 1.0 -136.60 -110.30 PHI 84 84 A 89 SER N A 89 SER CA A 89 SER C A 90 ARG N 1.0 112.64 147.34 PSI 85 85 A 89 SER C A 90 ARG N A 90 ARG CA A 90 ARG C 1.0 -133.19 -87.29 PHI 86 86 A 91 ASP C A 92 GLY N A 92 GLY CA A 92 GLY C 1.0 70.09 100.47 PHI 87 87 A 92 GLY N A 92 GLY CA A 92 GLY C A 93 VAL N 1.0 -27.61 12.55 PSI 88 88 A 92 GLY C A 93 VAL N A 93 VAL CA A 93 VAL C 1.0 -108.59 -66.75 PHI 89 89 A 93 VAL N A 93 VAL CA A 93 VAL C A 94 VAL N 1.0 120.94 145.54 PSI 90 90 A 93 VAL C A 94 VAL N A 94 VAL CA A 94 VAL C 1.0 -112.56 -73.32 PHI 91 91 A 94 VAL N A 94 VAL CA A 94 VAL C A 95 MET N 1.0 113.48 136.80 PSI 92 92 A 95 MET C A 96 SER N A 96 SER CA A 96 SER C 1.0 -140.62 -109.48 PHI 93 93 A 96 SER N A 96 SER CA A 96 SER C A 97 ALA N 1.0 131.36 157.66 PSI 94 94 A 96 SER C A 97 ALA N A 97 ALA CA A 97 ALA C 1.0 -140.55 -105.37 PHI 95 95 A 97 ALA N A 97 ALA CA A 97 ALA C A 98 THR N 1.0 113.33 138.97 PSI 96 96 A 97 ALA C A 98 THR N A 98 THR CA A 98 THR C 1.0 -117.66 -94.60 PHI 97 97 A 98 THR N A 98 THR CA A 98 THR C A 99 ILE N 1.0 115.83 132.41 PSI 98 98 A 98 THR C A 99 ILE N A 99 ILE CA A 99 ILE C 1.0 -114.62 -91.24 PHI 99 99 A 99 ILE N A 99 ILE CA A 99 ILE C A 100 VAL N 1.0 111.85 125.77 PSI 100 100 A 99 ILE C A 100 VAL N A 100 VAL CA A 100 VAL C 1.0 -109.84 -90.54 PHI 101 101 A 100 VAL N A 100 VAL CA A 100 VAL C A 101 VAL N 1.0 85.50 110.66 PSI 102 102 A 100 VAL C A 101 VAL N A 101 VAL CA A 101 VAL C 1.0 -92.16 -62.72 PHI 103 103 A 101 VAL N A 101 VAL CA A 101 VAL C A 102 GLY N 1.0 112.31 133.71 PSI stop_ save_